2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)

C153H300N22OW — CID 159947320

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+) (PubChem CID 159947320) has the molecular formula C153H300N22OW and a molecular weight of 2648.08 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+).

Molecular Properties

• Compound Name: 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)
• PubChem CID: 159947320
• Molecular Formula: C153H300N22OW
• Molecular Weight: 2648.08 g/mol
• Exact Mass: 2646.36
• IUPAC Name: 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)
• SMILES: CC(C)(C)N1C2CCCC1CNC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CCC2(CC3CCC(C2)N3)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1CCC2(CCNCC2)C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCCCC2C1.[CH2-]C1CC([CH2-])CN(C(C)(C)C)C1.[W+2]
• InChI: InChI=1S/C14H26N2.C14H27N.4C12H24N2.C12H23N.C11H22N2O.2C11H22N2.2C11H21N.C10H20N2.W/c1-13(2,3)16-7-6-14(10-16)8-11-4-5-12(9-14)15-11;1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10-14)4-7-13-8-5-12;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9-6-10(2)8-12(7-9)11(3,4)5;1-10(2,3)12-6-8-4-9(7-12)11-5-8;/h11-12,15H,4-10H2,1-3H3;4-12H2,1-3H3;13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;4-10H2,1-3H3;9-10,12H,4-8H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,1-2,6-8H2,3-5H3;8-9,11H,4-7H2,1-3H3;/q;;;;;;;;;;;-2;;+2
• InChIKey: OBQQNXQUDHMNJL-UHFFFAOYSA-N
• XLogP: 27.02
• TPSA: 142.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.08
LogP ≤ 5	27.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)?

The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+) (CID 159947320) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+).

What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)?

The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+) is CC(C)(C)N1C2CCCC1CNC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CCC2(CC3CCC(C2)N3)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1CCC2(CCNCC2)C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCCCC2C1.[CH2-]C1CC([CH2-])CN(C(C)(C)C)C1.[W+2].

What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)?

The InChIKey is OBQQNXQUDHMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C14H27N.4C12H24N2.C12H23N.C11H22N2O.2C11H22N2.2C11H21N.C10H20N2.W/c1-13(2,3)16-7-6-14(10-16)8-11-4-5-12(9-14)15-11;1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10-14)4-7-13-8-5-12;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9-6-10(2)8-12(7-9)11(3,4)5;1-10(2,3)12-6-8-4-9(7-12)11-5-8;/h11-12,15H,4-10H2,1-3H3;4-12H2,1-3H3;13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;4-10H2,1-3H3;9-10,12H,4-8H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,1-2,6-8H2,3-5H3;8-9,11H,4-7H2,1-3H3;/q;;;;;;;;;;;-2;;+2.

What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+)?

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+) has a molecular weight of 2648.08 g/mol, XLogP of 27.02, 0 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;1-tert-butyl-3,5-dimethanidylpiperidine;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane;1'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine];tungsten(2+) is sourced from PubChem (CID 159947320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).