(E)-3-ethenyl-5-ethyliminopent-3-en-2-one

C9H13NO — CID 89374290

IUPAC(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
SMILESC=C/C(=C\C=N\CC)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-9(8(3)11)6-7-10-5-2/h4,6-7H,1,5H2,2-3H3/b9-6+,10-7+
InChIKeyPZEJSAKKJXVYQF-KZZDLZNXSA-N
MW151.21 g/mol
LogP1.78
Rot. Bonds4

About (E)-3-ethenyl-5-ethyliminopent-3-en-2-one

(E)-3-ethenyl-5-ethyliminopent-3-en-2-one (PubChem CID 89374290) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-3-ethenyl-5-ethyliminopent-3-en-2-one.

Molecular Properties

Compound Name(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
PubChem CID89374290
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
SMILESC=C/C(=C\C=N\CC)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-9(8(3)11)6-7-10-5-2/h4,6-7H,1,5H2,2-3H3/b9-6+,10-7+
InChIKeyPZEJSAKKJXVYQF-KZZDLZNXSA-N
XLogP1.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
(3E,5E)-3-ethenyl-6-ethoxyhepta-3,5-dien-2-one
CID 89136011
(E)-5-[3-(4-acetylpyridin-1-ium-1-yl)propylimino]-3-ethenylpent-3-en-2-one
CID 129290488
(E)-5-[4-(4-acetylpyridin-1-ium-1-yl)butylimino]-3-ethenylpent-3-en-2-one
CID 129290460
(E)-3-ethenylnon-3-en-2-one
CID 24976667
2-amino-4-ethyliminobut-2-enoic acid
CID 173228167
(E)-3-ethenyl-5-(methylamino)pent-3-en-2-one
CID 143379688
(E)-4-ethenyl-6-(2-oxopropylimino)hex-4-en-3-one;[(2E)-3-(methylcarbamothioyl)penta-2,4-dienylidene]-(2-oxopropyl)azanium
CID 143480807
(3E)-3-(methoxymethylidene)pent-4-en-2-one
CID 71507795
1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
CID 143480873
ethane;(3E)-3-ethenyl-5-hydroxyhexa-3,5-dien-2-one
CID 169155574
(2E,4E)-2-ethenyl-5-methylnona-2,4-dienamide
CID 89153831

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-5-ethyliminopent-3-en-2-one?
The IUPAC name of (E)-3-ethenyl-5-ethyliminopent-3-en-2-one (CID 89374290) is (E)-3-ethenyl-5-ethyliminopent-3-en-2-one.
What is the SMILES notation for (E)-3-ethenyl-5-ethyliminopent-3-en-2-one?
The canonical SMILES for (E)-3-ethenyl-5-ethyliminopent-3-en-2-one is C=C/C(=C\C=N\CC)C(C)=O.
What is the InChIKey of (E)-3-ethenyl-5-ethyliminopent-3-en-2-one?
The InChIKey is PZEJSAKKJXVYQF-KZZDLZNXSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9(8(3)11)6-7-10-5-2/h4,6-7H,1,5H2,2-3H3/b9-6+,10-7+.
What are the key properties of (E)-3-ethenyl-5-ethyliminopent-3-en-2-one?
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-5-ethyliminopent-3-en-2-one is sourced from PubChem (CID 89374290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).