(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one

C9H17NO — CID 146512910

IUPAC(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one
SMILESCCN(C)C/C=C(\C)C(C)=O
InChIInChI=1S/C9H17NO/c1-5-10(4)7-6-8(2)9(3)11/h6H,5,7H2,1-4H3/b8-6+
InChIKeyLNUAYCOQJUMCOE-SOFGYWHQSA-N
MW155.24 g/mol
LogP1.47
Rot. Bonds4

About (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one

(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one (PubChem CID 146512910) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one
PubChem CID146512910
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one
SMILESCCN(C)C/C=C(\C)C(C)=O
InChIInChI=1S/C9H17NO/c1-5-10(4)7-6-8(2)9(3)11/h6H,5,7H2,1-4H3/b8-6+
InChIKeyLNUAYCOQJUMCOE-SOFGYWHQSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075837
2-methyl-4-[methyl(propyl)amino]but-2-enoic acid
CID 77076306
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77076316
2-methyl-4-[methyl(2-methylbutyl)amino]but-2-enoic acid
CID 77074395
4-[2-hydroxyethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075072
4-[2-(dimethylamino)ethyl-methylamino]-2-methylbut-2-enoic acid
CID 77074049
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-methylbut-2-enoic acid
CID 77074510
(E)-4-[ethyl(methyl)amino]but-2-enoyl iodide
CID 118400736
(3E,8E)-3,9-dimethylundeca-3,8-diene-2,10-dione
CID 10443045
ethane;1-[ethyl(methyl)amino]propan-2-one
CID 142250702
(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid
CID 131276688
(Z)-3-methylnon-3-en-2-one
CID 98567788

Frequently Asked Questions

What is the IUPAC name of (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one?
The IUPAC name of (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one (CID 146512910) is (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one.
What is the SMILES notation for (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one?
The canonical SMILES for (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one is CCN(C)C/C=C(\C)C(C)=O.
What is the InChIKey of (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one?
The InChIKey is LNUAYCOQJUMCOE-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10(4)7-6-8(2)9(3)11/h6H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one?
(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one is sourced from PubChem (CID 146512910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).