6H-azepino[4,3-b]indol-1-one

C12H8N2O — CID 150838998

IUPAC6H-azepino[4,3-b]indol-1-one
SMILESO=c1ncccc2[nH]c3ccccc3c12
InChIInChI=1S/C12H8N2O/c15-12-11-8-4-1-2-5-9(8)14-10(11)6-3-7-13-12/h1-7,14H
InChIKeyLHVTTXNFFKRCFI-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

About 6H-azepino[4,3-b]indol-1-one

6H-azepino[4,3-b]indol-1-one (PubChem CID 150838998) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 6H-azepino[4,3-b]indol-1-one.

Molecular Properties

Compound Name6H-azepino[4,3-b]indol-1-one
PubChem CID150838998
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name6H-azepino[4,3-b]indol-1-one
SMILESO=c1ncccc2[nH]c3ccccc3c12
InChIInChI=1S/C12H8N2O/c15-12-11-8-4-1-2-5-9(8)14-10(11)6-3-7-13-12/h1-7,14H
InChIKeyLHVTTXNFFKRCFI-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-azepino[4,3-b]indol-1-one?
The IUPAC name of 6H-azepino[4,3-b]indol-1-one (CID 150838998) is 6H-azepino[4,3-b]indol-1-one.
What is the SMILES notation for 6H-azepino[4,3-b]indol-1-one?
The canonical SMILES for 6H-azepino[4,3-b]indol-1-one is O=c1ncccc2[nH]c3ccccc3c12.
What is the InChIKey of 6H-azepino[4,3-b]indol-1-one?
The InChIKey is LHVTTXNFFKRCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-12-11-8-4-1-2-5-9(8)14-10(11)6-3-7-13-12/h1-7,14H.
What are the key properties of 6H-azepino[4,3-b]indol-1-one?
6H-azepino[4,3-b]indol-1-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-azepino[4,3-b]indol-1-one is sourced from PubChem (CID 150838998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).