(3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane

C105H180N14O6 — CID 163982079

IUPAC(3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2COCC21.CC(C)(C)N1CCCC12CCOC2.CC(C)(C)N1CCCC12CCOCC2.CC(C)(C)N1CCCC12COC2.CC(C)(C)N1CC[C@@H]2CCO[C@@H]21.CC(C)(C)N1CC[C@@H]2CO[C@@H]21.CC(C)(C)N1CCc2ccncc21.CC(C)(C)N1CCc2cnccc21.CC(C)(C)N1CCc2ncccc21.CC(C)(C)N1Cc2cccnc2C1
InChIInChI=1S/C12H23NO.4C11H16N2.C11H21NO.2C10H19NO.2C9H17NO/c1-11(2,3)13-8-4-5-12(13)6-9-14-10-7-12;1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-10(13)5-4-7-12-9;1-11(2,3)13-7-9-5-4-6-12-10(9)8-13;1-10(2,3)12-7-4-5-11(12)6-8-13-9-11;1-10(2,3)11-6-4-8-5-7-12-9(8)11;1-9(2,3)11-6-4-5-10(11)7-12-8-10;1-9(2,3)10-4-7-5-11-6-8(7)10;1-9(2,3)10-5-4-7-6-11-8(7)10/h4-10H2,1-3H3;2*4,6,8H,5,7H2,1-3H3;4-5,7H,6,8H2,1-3H3;4-6H,7-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;2*7-8H,4-6H2,1-3H3/t;;;;;;8-,9+;;;7-,8+/m......1..1/s1
InChIKeySZHAJKRTSONCNO-JVDPJBHJSA-N
MW1734.69 g/mol
LogP19.47
Rot. Bonds

About (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane

(3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 163982079) has the molecular formula C105H180N14O6 and a molecular weight of 1734.69 g/mol. Its IUPAC name is (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name(3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane
PubChem CID163982079
Molecular FormulaC105H180N14O6
Molecular Weight1734.69 g/mol
Exact Mass1733.42
IUPAC Name(3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2COCC21.CC(C)(C)N1CCCC12CCOC2.CC(C)(C)N1CCCC12CCOCC2.CC(C)(C)N1CCCC12COC2.CC(C)(C)N1CC[C@@H]2CCO[C@@H]21.CC(C)(C)N1CC[C@@H]2CO[C@@H]21.CC(C)(C)N1CCc2ccncc21.CC(C)(C)N1CCc2cnccc21.CC(C)(C)N1CCc2ncccc21.CC(C)(C)N1Cc2cccnc2C1
InChIInChI=1S/C12H23NO.4C11H16N2.C11H21NO.2C10H19NO.2C9H17NO/c1-11(2,3)13-8-4-5-12(13)6-9-14-10-7-12;1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-10(13)5-4-7-12-9;1-11(2,3)13-7-9-5-4-6-12-10(9)8-13;1-10(2,3)12-7-4-5-11(12)6-8-13-9-11;1-10(2,3)11-6-4-8-5-7-12-9(8)11;1-9(2,3)11-6-4-5-10(11)7-12-8-10;1-9(2,3)10-4-7-5-11-6-8(7)10;1-9(2,3)10-5-4-7-6-11-8(7)10/h4-10H2,1-3H3;2*4,6,8H,5,7H2,1-3H3;4-5,7H,6,8H2,1-3H3;4-6H,7-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;2*7-8H,4-6H2,1-3H3/t;;;;;;8-,9+;;;7-,8+/m......1..1/s1
InChIKeySZHAJKRTSONCNO-JVDPJBHJSA-N
XLogP19.47
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.69
LogP ≤ 519.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane (CID 163982079) is (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane is CC(C)(C)N1CC2COCC21.CC(C)(C)N1CCCC12CCOC2.CC(C)(C)N1CCCC12CCOCC2.CC(C)(C)N1CCCC12COC2.CC(C)(C)N1CC[C@@H]2CCO[C@@H]21.CC(C)(C)N1CC[C@@H]2CO[C@@H]21.CC(C)(C)N1CCc2ccncc21.CC(C)(C)N1CCc2cnccc21.CC(C)(C)N1CCc2ncccc21.CC(C)(C)N1Cc2cccnc2C1.
What is the InChIKey of (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is SZHAJKRTSONCNO-JVDPJBHJSA-N. The full InChI is InChI=1S/C12H23NO.4C11H16N2.C11H21NO.2C10H19NO.2C9H17NO/c1-11(2,3)13-8-4-5-12(13)6-9-14-10-7-12;1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-10(13)5-4-7-12-9;1-11(2,3)13-7-9-5-4-6-12-10(9)8-13;1-10(2,3)12-7-4-5-11(12)6-8-13-9-11;1-10(2,3)11-6-4-8-5-7-12-9(8)11;1-9(2,3)11-6-4-5-10(11)7-12-8-10;1-9(2,3)10-4-7-5-11-6-8(7)10;1-9(2,3)10-5-4-7-6-11-8(7)10/h4-10H2,1-3H3;2*4,6,8H,5,7H2,1-3H3;4-5,7H,6,8H2,1-3H3;4-6H,7-8H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;4-8H2,1-3H3;2*7-8H,4-6H2,1-3H3/t;;;;;;8-,9+;;;7-,8+/m......1..1/s1.
What are the key properties of (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
(3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 1734.69 g/mol, XLogP of 19.47, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6-tert-butyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;6-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-c]pyridine;(1S,5R)-2-tert-butyl-7-oxa-2-azabicyclo[3.2.0]heptane;6-tert-butyl-3-oxa-6-azabicyclo[3.2.0]heptane;1-tert-butyl-8-oxa-1-azaspiro[4.5]decane;1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane;5-tert-butyl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 163982079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).