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

C12H13NO — CID 71665793

IUPAC(5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one
SMILESC/C=C/C=C1\C=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/b3-2+,9-4+
InChIKeyHKLWUXDZILHGOB-DSXPNFDZSA-N
MW187.24 g/mol
LogP1.88
Rot. Bonds1

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

(5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one (PubChem CID 71665793) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name(5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one
PubChem CID71665793
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one
SMILESC/C=C/C=C1\C=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/b3-2+,9-4+
InChIKeyHKLWUXDZILHGOB-DSXPNFDZSA-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 (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
The IUPAC name of (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one (CID 71665793) is (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one is C/C=C/C=C1\C=CC2=C1C(=O)CCN2.
What is the InChIKey of (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
The InChIKey is HKLWUXDZILHGOB-DSXPNFDZSA-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/b3-2+,9-4+.
What are the key properties of (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one?
(5E)-5-[(E)-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 (5E)-5-[(E)-but-2-enylidene]-2,3-dihydro-1H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 71665793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).