2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide

C9H14N2O — CID 58123497

IUPAC2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide
SMILESNC(=O)N1CCCC2C=CCC21
InChIInChI=1S/C9H14N2O/c10-9(12)11-6-2-4-7-3-1-5-8(7)11/h1,3,7-8H,2,4-6H2,(H2,10,12)
InChIKeyJAMIQBDDWFDLMH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.11
Rot. Bonds

About 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide

2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 58123497) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound Name2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID58123497
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide
SMILESNC(=O)N1CCCC2C=CCC21
InChIInChI=1S/C9H14N2O/c10-9(12)11-6-2-4-7-3-1-5-8(7)11/h1,3,7-8H,2,4-6H2,(H2,10,12)
InChIKeyJAMIQBDDWFDLMH-UHFFFAOYSA-N
XLogP1.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide (CID 58123497) is 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide is NC(=O)N1CCCC2C=CCC21.
What is the InChIKey of 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is JAMIQBDDWFDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9(12)11-6-2-4-7-3-1-5-8(7)11/h1,3,7-8H,2,4-6H2,(H2,10,12).
What are the key properties of 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 58123497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).