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

C12H11NO — CID 71665794

IUPAC(5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one
SMILESC/C=C/C=C1\C=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)/b3-2+,9-4+
InChIKeyNSVDPFZTGJHYDM-DSXPNFDZSA-N
MW185.23 g/mol
LogP2.36
Rot. Bonds1

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

(5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one (PubChem CID 71665794) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name(5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one
PubChem CID71665794
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one
SMILESC/C=C/C=C1\C=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)/b3-2+,9-4+
InChIKeyNSVDPFZTGJHYDM-DSXPNFDZSA-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 (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one?
The IUPAC name of (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one (CID 71665794) is (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one is C/C=C/C=C1\C=Cc2[nH]ccc(=O)c21.
What is the InChIKey of (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one?
The InChIKey is NSVDPFZTGJHYDM-DSXPNFDZSA-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)/b3-2+,9-4+.
What are the key properties of (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one?
(5E)-5-[(E)-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 (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 71665794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).