2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride

C9H13ClN2O — CID 70091908

IUPAC2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=C2NCCC2CC=C1
InChIInChI=1S/C9H12N2O.ClH/c10-9(12)7-3-1-2-6-4-5-11-8(6)7;/h1,3,6,11H,2,4-5H2,(H2,10,12);1H
InChIKeyAZKOPQDOPCNXCK-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.72
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride

2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride (PubChem CID 70091908) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride
PubChem CID70091908
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=C2NCCC2CC=C1
InChIInChI=1S/C9H12N2O.ClH/c10-9(12)7-3-1-2-6-4-5-11-8(6)7;/h1,3,6,11H,2,4-5H2,(H2,10,12);1H
InChIKeyAZKOPQDOPCNXCK-UHFFFAOYSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride (CID 70091908) is 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride is Cl.NC(=O)C1=C2NCCC2CC=C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride?
The InChIKey is AZKOPQDOPCNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-9(12)7-3-1-2-6-4-5-11-8(6)7;/h1,3,6,11H,2,4-5H2,(H2,10,12);1H.
What are the key properties of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride?
2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide;hydrochloride is sourced from PubChem (CID 70091908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).