(E)-3-(methylamino)pent-3-en-2-one

C6H11NO — CID 20802484

IUPAC(E)-3-(methylamino)pent-3-en-2-one
SMILESC/C=C(/NC)C(C)=O
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7H,1-3H3/b6-4+
InChIKeyWGEXABGZJZGUEW-GQCTYLIASA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

About (E)-3-(methylamino)pent-3-en-2-one

(E)-3-(methylamino)pent-3-en-2-one (PubChem CID 20802484) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-3-(methylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-3-(methylamino)pent-3-en-2-one
PubChem CID20802484
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-3-(methylamino)pent-3-en-2-one
SMILESC/C=C(/NC)C(C)=O
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7H,1-3H3/b6-4+
InChIKeyWGEXABGZJZGUEW-GQCTYLIASA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-4-(methylamino)pent-3-en-2-one
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4-Methylaminopent-3-en-2-one
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dimethyl-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-3-yl]azanium
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3-(Methylamino)but-3-en-2-one
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2-Propanoylpyrroline
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(Z)-3-(dimethylamino)pent-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(methylamino)pent-3-en-2-one?
The IUPAC name of (E)-3-(methylamino)pent-3-en-2-one (CID 20802484) is (E)-3-(methylamino)pent-3-en-2-one.
What is the SMILES notation for (E)-3-(methylamino)pent-3-en-2-one?
The canonical SMILES for (E)-3-(methylamino)pent-3-en-2-one is C/C=C(/NC)C(C)=O.
What is the InChIKey of (E)-3-(methylamino)pent-3-en-2-one?
The InChIKey is WGEXABGZJZGUEW-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h4,7H,1-3H3/b6-4+.
What are the key properties of (E)-3-(methylamino)pent-3-en-2-one?
(E)-3-(methylamino)pent-3-en-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methylamino)pent-3-en-2-one is sourced from PubChem (CID 20802484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).