3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one

C10H9NO — CID 123422524

IUPAC3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one
SMILESCC1C(=O)NC2=CC=CC=C=C21
InChIInChI=1S/C10H9NO/c1-7-8-5-3-2-4-6-9(8)11-10(7)12/h2-4,6-7H,1H3,(H,11,12)
InChIKeyCQGXWWJRTHERIF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.29
Rot. Bonds

About 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one

3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one (PubChem CID 123422524) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one
PubChem CID123422524
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one
SMILESCC1C(=O)NC2=CC=CC=C=C21
InChIInChI=1S/C10H9NO/c1-7-8-5-3-2-4-6-9(8)11-10(7)12/h2-4,6-7H,1H3,(H,11,12)
InChIKeyCQGXWWJRTHERIF-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one?
The IUPAC name of 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one (CID 123422524) is 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one?
The canonical SMILES for 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one is CC1C(=O)NC2=CC=CC=C=C21.
What is the InChIKey of 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one?
The InChIKey is CQGXWWJRTHERIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-8-5-3-2-4-6-9(8)11-10(7)12/h2-4,6-7H,1H3,(H,11,12).
What are the key properties of 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one?
3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one has a molecular weight of 159.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 123422524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).