2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid

C11H19NO2 — CID 83915881

IUPAC2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
SMILESO=C(O)C1CCNC2CCCCCC21
InChIInChI=1S/C11H19NO2/c13-11(14)9-6-7-12-10-5-3-1-2-4-8(9)10/h8-10,12H,1-7H2,(H,13,14)
InChIKeyZXGUAEILQWBIKS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds1

About 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid (PubChem CID 83915881) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
PubChem CID83915881
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
SMILESO=C(O)C1CCNC2CCCCCC21
InChIInChI=1S/C11H19NO2/c13-11(14)9-6-7-12-10-5-3-1-2-4-8(9)10/h8-10,12H,1-7H2,(H,13,14)
InChIKeyZXGUAEILQWBIKS-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
CID 129413165
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
CID 129413164
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 83915202
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
[(4R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] acetate
CID 11879366
2-piperidin-2-ylcyclododecan-1-ol
CID 79560081
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
2-cyclopentylpiperidine-4-carboxylic acid
CID 82398754
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid?
The IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid (CID 83915881) is 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid is O=C(O)C1CCNC2CCCCCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid?
The InChIKey is ZXGUAEILQWBIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)9-6-7-12-10-5-3-1-2-4-8(9)10/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid?
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 83915881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).