(Z)-1-(methylamino)pent-1-en-3-one

C6H11NO — CID 23278648

IUPAC(Z)-1-(methylamino)pent-1-en-3-one
SMILESCCC(=O)/C=C\NC
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5-7-2/h4-5,7H,3H2,1-2H3/b5-4-
InChIKeyDGOPHEBGEQHPHG-PLNGDYQASA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds3

About (Z)-1-(methylamino)pent-1-en-3-one

(Z)-1-(methylamino)pent-1-en-3-one (PubChem CID 23278648) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-1-(methylamino)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(methylamino)pent-1-en-3-one
PubChem CID23278648
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-1-(methylamino)pent-1-en-3-one
SMILESCCC(=O)/C=C\NC
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5-7-2/h4-5,7H,3H2,1-2H3/b5-4-
InChIKeyDGOPHEBGEQHPHG-PLNGDYQASA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

4-Hydroxypyridine
CID 12290
3-Buten-2-one, 4-amino-, (E)-
CID 4054588
1,2,3,4-Tetrahydropyridin-4-one
CID 12223638
methyl b-(N-ethyl) aminovinyl ketone
CID 10678206
(E)-4-Methylamino-but-3-en-2-one
CID 13010871
3-Buten-2-one, 4-(methylamino)-, (Z)-
CID 23278647
3-Methylpyridin-4-ol
CID 2762918
3-Ethylpyridin-4-OL
CID 15534895
1H-azepine-4,5-dione
CID 9989269
4-Aminobut-3-en-2-one
CID 5998949
(3Z)-4-amino-3-buten-2-one
CID 21765853
4-Pyridone hydrochloride
CID 12219127

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(methylamino)pent-1-en-3-one?
The IUPAC name of (Z)-1-(methylamino)pent-1-en-3-one (CID 23278648) is (Z)-1-(methylamino)pent-1-en-3-one.
What is the SMILES notation for (Z)-1-(methylamino)pent-1-en-3-one?
The canonical SMILES for (Z)-1-(methylamino)pent-1-en-3-one is CCC(=O)/C=C\NC.
What is the InChIKey of (Z)-1-(methylamino)pent-1-en-3-one?
The InChIKey is DGOPHEBGEQHPHG-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8)4-5-7-2/h4-5,7H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-(methylamino)pent-1-en-3-one?
(Z)-1-(methylamino)pent-1-en-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(methylamino)pent-1-en-3-one is sourced from PubChem (CID 23278648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).