1H-pyrrolo[2,3-c]azepin-8-one

C8H6N2O — CID 18626913

IUPAC1H-pyrrolo[2,3-c]azepin-8-one
SMILESO=c1ncccc2cc[nH]c12
InChIInChI=1S/C8H6N2O/c11-8-7-6(3-5-9-7)2-1-4-10-8/h1-5,9H
InChIKeyNTPNTTHRVIREGG-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.92
Rot. Bonds

About 1H-pyrrolo[2,3-c]azepin-8-one

1H-pyrrolo[2,3-c]azepin-8-one (PubChem CID 18626913) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-c]azepin-8-one.

Molecular Properties

Compound Name1H-pyrrolo[2,3-c]azepin-8-one
PubChem CID18626913
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-pyrrolo[2,3-c]azepin-8-one
SMILESO=c1ncccc2cc[nH]c12
InChIInChI=1S/C8H6N2O/c11-8-7-6(3-5-9-7)2-1-4-10-8/h1-5,9H
InChIKeyNTPNTTHRVIREGG-UHFFFAOYSA-N
XLogP0.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-c]azepin-8-one?
The IUPAC name of 1H-pyrrolo[2,3-c]azepin-8-one (CID 18626913) is 1H-pyrrolo[2,3-c]azepin-8-one.
What is the SMILES notation for 1H-pyrrolo[2,3-c]azepin-8-one?
The canonical SMILES for 1H-pyrrolo[2,3-c]azepin-8-one is O=c1ncccc2cc[nH]c12.
What is the InChIKey of 1H-pyrrolo[2,3-c]azepin-8-one?
The InChIKey is NTPNTTHRVIREGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-7-6(3-5-9-7)2-1-4-10-8/h1-5,9H.
What are the key properties of 1H-pyrrolo[2,3-c]azepin-8-one?
1H-pyrrolo[2,3-c]azepin-8-one has a molecular weight of 146.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-c]azepin-8-one is sourced from PubChem (CID 18626913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).