1-methylcyclohepta[b]pyrrol-2-one

C10H9NO — CID 14088581

IUPAC1-methylcyclohepta[b]pyrrol-2-one
SMILESCn1c2cccccc-2cc1=O
InChIInChI=1S/C10H9NO/c1-11-9-6-4-2-3-5-8(9)7-10(11)12/h2-7H,1H3
InChIKeyUDVIANBLGNJHHX-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.49
Rot. Bonds

About 1-methylcyclohepta[b]pyrrol-2-one

1-methylcyclohepta[b]pyrrol-2-one (PubChem CID 14088581) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methylcyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name1-methylcyclohepta[b]pyrrol-2-one
PubChem CID14088581
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-methylcyclohepta[b]pyrrol-2-one
SMILESCn1c2cccccc-2cc1=O
InChIInChI=1S/C10H9NO/c1-11-9-6-4-2-3-5-8(9)7-10(11)12/h2-7H,1H3
InChIKeyUDVIANBLGNJHHX-UHFFFAOYSA-N
XLogP1.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohepta[b]pyrrol-2-one?
The IUPAC name of 1-methylcyclohepta[b]pyrrol-2-one (CID 14088581) is 1-methylcyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 1-methylcyclohepta[b]pyrrol-2-one?
The canonical SMILES for 1-methylcyclohepta[b]pyrrol-2-one is Cn1c2cccccc-2cc1=O.
What is the InChIKey of 1-methylcyclohepta[b]pyrrol-2-one?
The InChIKey is UDVIANBLGNJHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-11-9-6-4-2-3-5-8(9)7-10(11)12/h2-7H,1H3.
What are the key properties of 1-methylcyclohepta[b]pyrrol-2-one?
1-methylcyclohepta[b]pyrrol-2-one has a molecular weight of 159.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 14088581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).