1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene

C15H23N3 — CID 102969993

IUPAC1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene
SMILESCC12CCC(c3[nH]c(C4CCCN4)nc31)C2(C)C
InChIInChI=1S/C15H23N3/c1-14(2)9-6-7-15(14,3)12-11(9)17-13(18-12)10-5-4-8-16-10/h9-10,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyQBVAUUWSZTZRFE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.01
Rot. Bonds1

About 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene

1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene (PubChem CID 102969993) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene.

Molecular Properties

Compound Name1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene
PubChem CID102969993
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene
SMILESCC12CCC(c3[nH]c(C4CCCN4)nc31)C2(C)C
InChIInChI=1S/C15H23N3/c1-14(2)9-6-7-15(14,3)12-11(9)17-13(18-12)10-5-4-8-16-10/h9-10,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyQBVAUUWSZTZRFE-UHFFFAOYSA-N
XLogP3.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 82234810
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 115041058
3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 84631003
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632

Frequently Asked Questions

What is the IUPAC name of 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene?
The IUPAC name of 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene (CID 102969993) is 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene.
What is the SMILES notation for 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene?
The canonical SMILES for 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene is CC12CCC(c3[nH]c(C4CCCN4)nc31)C2(C)C.
What is the InChIKey of 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene?
The InChIKey is QBVAUUWSZTZRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-14(2)9-6-7-15(14,3)12-11(9)17-13(18-12)10-5-4-8-16-10/h9-10,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene?
1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene has a molecular weight of 245.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-4-pyrrolidin-2-yl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene is sourced from PubChem (CID 102969993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).