4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine

C10H15N — CID 91277880

IUPAC4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
SMILESC1=CC2CCCCCC2=NC1
InChIInChI=1S/C10H15N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,9H,1-3,5,7-8H2
InChIKeyBUCVFKMUVBEVSX-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine

4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine (PubChem CID 91277880) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
PubChem CID91277880
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
SMILESC1=CC2CCCCCC2=NC1
InChIInChI=1S/C10H15N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,9H,1-3,5,7-8H2
InChIKeyBUCVFKMUVBEVSX-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,4,5,5a,6,7-hexahydro-2H-1-benzazepine
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4-Cycloheptyl-2,5-dihydropyridine
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5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
CID 57124859
3,4,5,5a,6,9-hexahydro-2H-1-benzazepine
CID 57190739
7-cyclohexyl-2H-azepine
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2,4a,5,8-Tetrahydroquinoline
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2,4a,5,6,7,8-Hexahydroquinoline
CID 91181113
N-ethyl-4-(3-methylbutyl)cyclohex-2-en-1-imine
CID 123833497
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CID 141149808

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
The IUPAC name of 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine (CID 91277880) is 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine.
What is the SMILES notation for 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
The canonical SMILES for 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine is C1=CC2CCCCCC2=NC1.
What is the InChIKey of 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
The InChIKey is BUCVFKMUVBEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,9H,1-3,5,7-8H2.
What are the key properties of 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine?
4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine is sourced from PubChem (CID 91277880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).