5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one

C12H13NO — CID 78144712

IUPAC5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one
SMILESCC=CC=C1C=CC2=C1C(=O)CCN2
InChIInChI=1S/C12H13NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-6,13H,7-8H2,1H3
InChIKeyHKLWUXDZILHGOB-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.88
Rot. Bonds1

About 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one

5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one (PubChem CID 78144712) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one
PubChem CID78144712
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one
SMILESCC=CC=C1C=CC2=C1C(=O)CCN2
InChIInChI=1S/C12H13NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-6,13H,7-8H2,1H3
InChIKeyHKLWUXDZILHGOB-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
The IUPAC name of 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one (CID 78144712) is 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one is CC=CC=C1C=CC2=C1C(=O)CCN2.
What is the InChIKey of 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
The InChIKey is HKLWUXDZILHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-6,13H,7-8H2,1H3.
What are the key properties of 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one has a molecular weight of 187.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enylidene-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 78144712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).