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

C12H11NO — CID 163061741

IUPAC5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one
SMILESCC=CC=C1C=Cc2[nH]ccc(=O)c21
InChIInChI=1S/C12H11NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-8H,1H3,(H,13,14)
InChIKeyNSVDPFZTGJHYDM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.36
Rot. Bonds1

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

5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one (PubChem CID 163061741) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one
PubChem CID163061741
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one
SMILESCC=CC=C1C=Cc2[nH]ccc(=O)c21
InChIInChI=1S/C12H11NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-8H,1H3,(H,13,14)
InChIKeyNSVDPFZTGJHYDM-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one?
The IUPAC name of 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one (CID 163061741) is 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one is CC=CC=C1C=Cc2[nH]ccc(=O)c21.
What is the InChIKey of 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one?
The InChIKey is NSVDPFZTGJHYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-8H,1H3,(H,13,14).
What are the key properties of 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one?
5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one has a molecular weight of 185.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enylidene-1H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 163061741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).