6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one

C10H11NO — CID 170389904

IUPAC6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one
SMILESCC1=CC=C2NC(=O)CC2=CC1
InChIInChI=1S/C10H11NO/c1-7-2-4-8-6-10(12)11-9(8)5-3-7/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyIGSXLSAEOGNXEF-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.67
Rot. Bonds

About 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one

6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one (PubChem CID 170389904) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one
PubChem CID170389904
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one
SMILESCC1=CC=C2NC(=O)CC2=CC1
InChIInChI=1S/C10H11NO/c1-7-2-4-8-6-10(12)11-9(8)5-3-7/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyIGSXLSAEOGNXEF-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one?
The IUPAC name of 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one (CID 170389904) is 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one?
The canonical SMILES for 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one is CC1=CC=C2NC(=O)CC2=CC1.
What is the InChIKey of 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one?
The InChIKey is IGSXLSAEOGNXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-2-4-8-6-10(12)11-9(8)5-3-7/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one?
6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 170389904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).