2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one

C10H13NO — CID 59956545

IUPAC2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one
SMILESCC1CN(C)C(=O)C2=C1C=CC2
InChIInChI=1S/C10H13NO/c1-7-6-11(2)10(12)9-5-3-4-8(7)9/h3-4,7H,5-6H2,1-2H3
InChIKeyFDBOZPJXQFGTLQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.35
Rot. Bonds

About 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one

2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one (PubChem CID 59956545) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one
PubChem CID59956545
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one
SMILESCC1CN(C)C(=O)C2=C1C=CC2
InChIInChI=1S/C10H13NO/c1-7-6-11(2)10(12)9-5-3-4-8(7)9/h3-4,7H,5-6H2,1-2H3
InChIKeyFDBOZPJXQFGTLQ-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one (CID 59956545) is 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one is CC1CN(C)C(=O)C2=C1C=CC2.
What is the InChIKey of 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one?
The InChIKey is FDBOZPJXQFGTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-6-11(2)10(12)9-5-3-4-8(7)9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one?
2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,7-dihydro-3H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 59956545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).