1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone

C12H15NO — CID 143293846

IUPAC1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone
SMILESCC/C=C\C=C1\C=C(C(C)=O)N=CC1
InChIInChI=1S/C12H15NO/c1-3-4-5-6-11-7-8-13-12(9-11)10(2)14/h4-6,8-9H,3,7H2,1-2H3/b5-4-,11-6+
InChIKeyNHLOTMNVVJCRMQ-UMEJXRAUSA-N
MW189.26 g/mol
LogP2.83
Rot. Bonds3

About 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone

1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone (PubChem CID 143293846) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone
PubChem CID143293846
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone
SMILESCC/C=C\C=C1\C=C(C(C)=O)N=CC1
InChIInChI=1S/C12H15NO/c1-3-4-5-6-11-7-8-13-12(9-11)10(2)14/h4-6,8-9H,3,7H2,1-2H3/b5-4-,11-6+
InChIKeyNHLOTMNVVJCRMQ-UMEJXRAUSA-N
XLogP2.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone?
The IUPAC name of 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone (CID 143293846) is 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone?
The canonical SMILES for 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone is CC/C=C\C=C1\C=C(C(C)=O)N=CC1.
What is the InChIKey of 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone?
The InChIKey is NHLOTMNVVJCRMQ-UMEJXRAUSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-4-5-6-11-7-8-13-12(9-11)10(2)14/h4-6,8-9H,3,7H2,1-2H3/b5-4-,11-6+.
What are the key properties of 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone?
1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-[(Z)-pent-2-enylidene]-3H-pyridin-6-yl]ethanone is sourced from PubChem (CID 143293846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).