1H-cyclohepta[b]pyrrol-8-one

C9H7NO — CID 55288176

IUPAC1H-cyclohepta[b]pyrrol-8-one
SMILESO=c1ccccc2cc[nH]c12
InChIInChI=1S/C9H7NO/c11-8-4-2-1-3-7-5-6-10-9(7)8/h1-6,10H
InChIKeySHKWEMQKZJJLCC-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.53
Rot. Bonds

About 1H-cyclohepta[b]pyrrol-8-one

1H-cyclohepta[b]pyrrol-8-one (PubChem CID 55288176) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 1H-cyclohepta[b]pyrrol-8-one.

Molecular Properties

Compound Name1H-cyclohepta[b]pyrrol-8-one
PubChem CID55288176
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name1H-cyclohepta[b]pyrrol-8-one
SMILESO=c1ccccc2cc[nH]c12
InChIInChI=1S/C9H7NO/c11-8-4-2-1-3-7-5-6-10-9(7)8/h1-6,10H
InChIKeySHKWEMQKZJJLCC-UHFFFAOYSA-N
XLogP1.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclohepta[b]pyrrol-8-one?
The IUPAC name of 1H-cyclohepta[b]pyrrol-8-one (CID 55288176) is 1H-cyclohepta[b]pyrrol-8-one.
What is the SMILES notation for 1H-cyclohepta[b]pyrrol-8-one?
The canonical SMILES for 1H-cyclohepta[b]pyrrol-8-one is O=c1ccccc2cc[nH]c12.
What is the InChIKey of 1H-cyclohepta[b]pyrrol-8-one?
The InChIKey is SHKWEMQKZJJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-8-4-2-1-3-7-5-6-10-9(7)8/h1-6,10H.
What are the key properties of 1H-cyclohepta[b]pyrrol-8-one?
1H-cyclohepta[b]pyrrol-8-one has a molecular weight of 145.16 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclohepta[b]pyrrol-8-one is sourced from PubChem (CID 55288176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).