5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one

C10H11NO — CID 85092514

IUPAC5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one
SMILESCC=C1C(=O)C=C2NCCC=C21
InChIInChI=1S/C10H11NO/c1-2-7-8-4-3-5-11-9(8)6-10(7)12/h2,4,6,11H,3,5H2,1H3
InChIKeyRLVWTWCDRCCHFP-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.32
Rot. Bonds

About 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one

5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one (PubChem CID 85092514) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one.

Molecular Properties

Compound Name5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one
PubChem CID85092514
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one
SMILESCC=C1C(=O)C=C2NCCC=C21
InChIInChI=1S/C10H11NO/c1-2-7-8-4-3-5-11-9(8)6-10(7)12/h2,4,6,11H,3,5H2,1H3
InChIKeyRLVWTWCDRCCHFP-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one?
The IUPAC name of 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one (CID 85092514) is 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one.
What is the SMILES notation for 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one?
The canonical SMILES for 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one is CC=C1C(=O)C=C2NCCC=C21.
What is the InChIKey of 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one?
The InChIKey is RLVWTWCDRCCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-7-8-4-3-5-11-9(8)6-10(7)12/h2,4,6,11H,3,5H2,1H3.
What are the key properties of 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one?
5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one has a molecular weight of 161.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-6-one is sourced from PubChem (CID 85092514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).