5H-cyclohepta[b]pyrrol-6-one

C9H7NO — CID 141077873

IUPAC5H-cyclohepta[b]pyrrol-6-one
SMILESO=C1C=CC2=NC=CC2=CC1
InChIInChI=1S/C9H7NO/c11-8-2-1-7-5-6-10-9(7)4-3-8/h1,3-6H,2H2
InChIKeyNCHOAOOXCLJTTP-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.41
Rot. Bonds

About 5H-cyclohepta[b]pyrrol-6-one

5H-cyclohepta[b]pyrrol-6-one (PubChem CID 141077873) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 5H-cyclohepta[b]pyrrol-6-one.

Molecular Properties

Compound Name5H-cyclohepta[b]pyrrol-6-one
PubChem CID141077873
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name5H-cyclohepta[b]pyrrol-6-one
SMILESO=C1C=CC2=NC=CC2=CC1
InChIInChI=1S/C9H7NO/c11-8-2-1-7-5-6-10-9(7)4-3-8/h1,3-6H,2H2
InChIKeyNCHOAOOXCLJTTP-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[b]pyrrol-6-one?
The IUPAC name of 5H-cyclohepta[b]pyrrol-6-one (CID 141077873) is 5H-cyclohepta[b]pyrrol-6-one.
What is the SMILES notation for 5H-cyclohepta[b]pyrrol-6-one?
The canonical SMILES for 5H-cyclohepta[b]pyrrol-6-one is O=C1C=CC2=NC=CC2=CC1.
What is the InChIKey of 5H-cyclohepta[b]pyrrol-6-one?
The InChIKey is NCHOAOOXCLJTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-8-2-1-7-5-6-10-9(7)4-3-8/h1,3-6H,2H2.
What are the key properties of 5H-cyclohepta[b]pyrrol-6-one?
5H-cyclohepta[b]pyrrol-6-one has a molecular weight of 145.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[b]pyrrol-6-one is sourced from PubChem (CID 141077873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).