(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one

C10H13NO — CID 91524353

IUPAC(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
SMILESCC(=O)C/C=C/C1C=CC=NC1
InChIInChI=1S/C10H13NO/c1-9(12)4-2-5-10-6-3-7-11-8-10/h2-3,5-7,10H,4,8H2,1H3/b5-2+
InChIKeyHYVUZCWHLHWBFQ-GORDUTHDSA-N
MW163.22 g/mol
LogP1.78
Rot. Bonds3

About (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one

(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one (PubChem CID 91524353) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one.

Molecular Properties

Compound Name(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
PubChem CID91524353
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
SMILESCC(=O)C/C=C/C1C=CC=NC1
InChIInChI=1S/C10H13NO/c1-9(12)4-2-5-10-6-3-7-11-8-10/h2-3,5-7,10H,4,8H2,1H3/b5-2+
InChIKeyHYVUZCWHLHWBFQ-GORDUTHDSA-N
XLogP1.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-Dihydropyridin-3-yl)ethanone
CID 57313014
(Z)-3-methylidene-6-methyliminohex-4-en-2-one
CID 88267081
1-(6-Methyl-2,3-dihydropyridin-3-yl)ethanone
CID 89224171
3-Methyl-2(3H)-pyridinone
CID 90753333
6-Methyliminohex-4-en-2-one
CID 123302516
(Z)-3-methyl-6-methyliminohept-4-en-2-one
CID 123343354
(3Z,7Z)-9-ethylimino-5-methylnona-3,7-dien-2-one
CID 129058832
1-(3-Methyl-2,3-dihydropyridin-2-yl)ethanone
CID 130256731
1-(2-Methyl-2,5-dihydropyridin-5-yl)ethanone
CID 141836870
ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one
CID 143996187
1-(2,3-Dihydropyridin-3-yl)-2,2-dimethylpropan-1-one
CID 147324643
(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one
CID 156741442

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one?
The IUPAC name of (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one (CID 91524353) is (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one.
What is the SMILES notation for (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one?
The canonical SMILES for (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one is CC(=O)C/C=C/C1C=CC=NC1.
What is the InChIKey of (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one?
The InChIKey is HYVUZCWHLHWBFQ-GORDUTHDSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(12)4-2-5-10-6-3-7-11-8-10/h2-3,5-7,10H,4,8H2,1H3/b5-2+.
What are the key properties of (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one?
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one is sourced from PubChem (CID 91524353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).