1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one

C12H19NO — CID 143480873

IUPAC1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
SMILESC=C/C(=C\C=N\CC(C)=O)C(C)CC
InChIInChI=1S/C12H19NO/c1-5-10(3)12(6-2)7-8-13-9-11(4)14/h6-8,10H,2,5,9H2,1,3-4H3/b12-7+,13-8+
InChIKeyFAQGWHWZGUGMNV-INOXDZRUSA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds6

About 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one

1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one (PubChem CID 143480873) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one.

Molecular Properties

Compound Name1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
PubChem CID143480873
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
SMILESC=C/C(=C\C=N\CC(C)=O)C(C)CC
InChIInChI=1S/C12H19NO/c1-5-10(3)12(6-2)7-8-13-9-11(4)14/h6-8,10H,2,5,9H2,1,3-4H3/b12-7+,13-8+
InChIKeyFAQGWHWZGUGMNV-INOXDZRUSA-N
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylhex-1-en-3-one
CID 15724302
butan-2-one;pentan-3-ol
CID 159181592
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
CID 89374290
(3R,4E)-4-ethenyl-3-methylhepta-4,6-dienoic acid
CID 145439672
2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
CID 163258986
(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
CID 102265677
(E)-N,3-bis(ethenyl)-4-methyldec-2-en-1-imine
CID 139315408
(E)-4-ethenyl-6-(2-oxopropylimino)hex-4-en-3-one;[(2E)-3-(methylcarbamothioyl)penta-2,4-dienylidene]-(2-oxopropyl)azanium
CID 143480807
(2E)-2-butan-2-ylpenta-2,4-dienoic acid
CID 129274160
4-ethenyl-N-methylocta-4,6,7-trien-3-amine
CID 123221965
1-[[(2E)-2-(methylamino)penta-2,4-dienylidene]amino]propan-2-one
CID 143480821

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one?
The IUPAC name of 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one (CID 143480873) is 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one.
What is the SMILES notation for 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one?
The canonical SMILES for 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one is C=C/C(=C\C=N\CC(C)=O)C(C)CC.
What is the InChIKey of 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one?
The InChIKey is FAQGWHWZGUGMNV-INOXDZRUSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-10(3)12(6-2)7-8-13-9-11(4)14/h6-8,10H,2,5,9H2,1,3-4H3/b12-7+,13-8+.
What are the key properties of 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one?
1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one is sourced from PubChem (CID 143480873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).