(Z)-3-ethyliminohept-4-en-2-one

C9H15NO — CID 143622818

IUPAC(Z)-3-ethyliminohept-4-en-2-one
SMILESCC/C=C\C(=N\CC)C(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-7-9(8(3)11)10-5-2/h6-7H,4-5H2,1-3H3/b7-6-,10-9-
InChIKeyLHMONJXDRBBDGE-HZJYTTRNSA-N
MW153.22 g/mol
LogP2.00
Rot. Bonds4

About (Z)-3-ethyliminohept-4-en-2-one

(Z)-3-ethyliminohept-4-en-2-one (PubChem CID 143622818) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-3-ethyliminohept-4-en-2-one.

Molecular Properties

Compound Name(Z)-3-ethyliminohept-4-en-2-one
PubChem CID143622818
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-3-ethyliminohept-4-en-2-one
SMILESCC/C=C\C(=N\CC)C(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-7-9(8(3)11)10-5-2/h6-7H,4-5H2,1-3H3/b7-6-,10-9-
InChIKeyLHMONJXDRBBDGE-HZJYTTRNSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Fluoro-2,3-dihydropyridin-6-yl)ethanone
CID 70264178
3-Ethylimino-4-fluorohex-4-en-2-one
CID 123908334
(Z)-3,3-difluoro-4-(2,2,2-trifluoroethylimino)hept-5-en-2-one
CID 169573086
1-(2H-pyrrol-5-yl)ethanone
CID 58270108
1-(3-methyl-2H-pyrrol-5-yl)ethanone
CID 58966269
1-(2,3-Dihydropyridin-6-yl)-2-methylpropan-1-one
CID 68049953
3-[2-(Dimethylamino)ethylimino]hex-4-en-2-one
CID 87305181
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
1-(6-Methyl-2,3-dihydropyridin-3-yl)ethanone
CID 89224171
(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
CID 89298368
3-(2-Methylprop-1-enylimino)pent-4-en-2-one
CID 89349894
2-methyl-1-(2H-pyrrol-5-yl)propan-1-one
CID 89368532

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyliminohept-4-en-2-one?
The IUPAC name of (Z)-3-ethyliminohept-4-en-2-one (CID 143622818) is (Z)-3-ethyliminohept-4-en-2-one.
What is the SMILES notation for (Z)-3-ethyliminohept-4-en-2-one?
The canonical SMILES for (Z)-3-ethyliminohept-4-en-2-one is CC/C=C\C(=N\CC)C(C)=O.
What is the InChIKey of (Z)-3-ethyliminohept-4-en-2-one?
The InChIKey is LHMONJXDRBBDGE-HZJYTTRNSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-7-9(8(3)11)10-5-2/h6-7H,4-5H2,1-3H3/b7-6-,10-9-.
What are the key properties of (Z)-3-ethyliminohept-4-en-2-one?
(Z)-3-ethyliminohept-4-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyliminohept-4-en-2-one is sourced from PubChem (CID 143622818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).