(Z)-4-(ethyliminomethyl)hex-4-en-2-one

C9H15NO — CID 134560633

IUPAC(Z)-4-(ethyliminomethyl)hex-4-en-2-one
SMILESC/C=C(\C=N\CC)CC(C)=O
InChIInChI=1S/C9H15NO/c1-4-9(6-8(3)11)7-10-5-2/h4,7H,5-6H2,1-3H3/b9-4-,10-7+
InChIKeyGFXHTUMYZGCQMP-SWSBUGGLSA-N
MW153.22 g/mol
LogP2.00
Rot. Bonds4

About (Z)-4-(ethyliminomethyl)hex-4-en-2-one

(Z)-4-(ethyliminomethyl)hex-4-en-2-one (PubChem CID 134560633) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-4-(ethyliminomethyl)hex-4-en-2-one.

Molecular Properties

Compound Name(Z)-4-(ethyliminomethyl)hex-4-en-2-one
PubChem CID134560633
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-4-(ethyliminomethyl)hex-4-en-2-one
SMILESC/C=C(\C=N\CC)CC(C)=O
InChIInChI=1S/C9H15NO/c1-4-9(6-8(3)11)7-10-5-2/h4,7H,5-6H2,1-3H3/b9-4-,10-7+
InChIKeyGFXHTUMYZGCQMP-SWSBUGGLSA-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_1', 'substructure': 'N/A'}

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Related Compounds

1-Diazonio-6-methylhepta-1,5-dien-2-olate
CID 71351579
CID 134858194
CID 134858194
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
3-(Methyliminomethyl)hex-3-en-2-one
CID 91071380
1-(5-Ethyl-2,3-dihydropyridin-6-yl)ethanone
CID 91357305
(4Z,6Z)-4-methanimidoylocta-4,6-dien-2-one
CID 117810351
(E)-4-(methyliminomethyl)hex-4-en-3-one
CID 123280547
4-Methyl-5-methyliminopent-3-en-2-one
CID 123560270
3-(Methyliminomethyl)pent-3-en-2-one
CID 123831882
(1Z)-1-diazo-6-methylhept-5-en-2-one
CID 136018366
(E)-3-(ethyliminomethyl)pent-3-en-2-one
CID 139406932
(E)-4-methyl-6-methyliminohept-4-en-2-one
CID 141974055

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethyliminomethyl)hex-4-en-2-one?
The IUPAC name of (Z)-4-(ethyliminomethyl)hex-4-en-2-one (CID 134560633) is (Z)-4-(ethyliminomethyl)hex-4-en-2-one.
What is the SMILES notation for (Z)-4-(ethyliminomethyl)hex-4-en-2-one?
The canonical SMILES for (Z)-4-(ethyliminomethyl)hex-4-en-2-one is C/C=C(\C=N\CC)CC(C)=O.
What is the InChIKey of (Z)-4-(ethyliminomethyl)hex-4-en-2-one?
The InChIKey is GFXHTUMYZGCQMP-SWSBUGGLSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9(6-8(3)11)7-10-5-2/h4,7H,5-6H2,1-3H3/b9-4-,10-7+.
What are the key properties of (Z)-4-(ethyliminomethyl)hex-4-en-2-one?
(Z)-4-(ethyliminomethyl)hex-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)-4-(ethyliminomethyl)hex-4-en-2-one is sourced from PubChem (CID 134560633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).