6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride

C9H13ClN2O2 — CID 126796932

IUPAC6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2n1CCCCC2
InChIInChI=1S/C9H12N2O2.ClH/c12-9(13)7-6-10-8-4-2-1-3-5-11(7)8;/h6H,1-5H2,(H,12,13);1H
InChIKeyYHGCTVBLJBODIL-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.73
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride

6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride (PubChem CID 126796932) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
PubChem CID126796932
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2n1CCCCC2
InChIInChI=1S/C9H12N2O2.ClH/c12-9(13)7-6-10-8-4-2-1-3-5-11(7)8;/h6H,1-5H2,(H,12,13);1H
InChIKeyYHGCTVBLJBODIL-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 167775956
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbaldehyde
CID 26967189
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
N-(5-ethyl-1,3-oxazol-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 154789822
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid
CID 75539559
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83827932
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 154757694
(2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)butanoic acid
CID 154868429
2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 138038160
N-[[4-(methoxymethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136517116
N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 136566754
2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 136574677

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride (CID 126796932) is 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2n1CCCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride?
The InChIKey is YHGCTVBLJBODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c12-9(13)7-6-10-8-4-2-1-3-5-11(7)8;/h6H,1-5H2,(H,12,13);1H.
What are the key properties of 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride?
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 126796932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).