5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one

C10H14N2O — CID 55293497

IUPAC5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
SMILESC=CCC(N)c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C10H14N2O/c1-3-4-9(11)8-5-7(2)10(13)12-6-8/h3,5-6,9H,1,4,11H2,2H3,(H,12,13)
InChIKeyDEJSFKXUNGRPOF-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.26
Rot. Bonds3

About 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one

5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one (PubChem CID 55293497) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
PubChem CID55293497
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one
SMILESC=CCC(N)c1c[nH]c(=O)c(C)c1
InChIInChI=1S/C10H14N2O/c1-3-4-9(11)8-5-7(2)10(13)12-6-8/h3,5-6,9H,1,4,11H2,2H3,(H,12,13)
InChIKeyDEJSFKXUNGRPOF-UHFFFAOYSA-N
XLogP1.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
CID 130614731
5-[(1R)-1-aminobut-3-enyl]-1H-pyridin-2-one
CID 55291962
5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
CID 130857100
methyl 4-[(1R)-1-aminobut-3-enyl]-1H-pyrrole-2-carboxylate
CID 55297241
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)but-3-en-1-amine
CID 130673428
5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
CID 171881026
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680
4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
CID 131037925
3-(1-aminobut-3-enyl)-5-methylaniline
CID 130059672
5-(1-aminopropyl)-3-methyl-1H-pyridine-2-thione
CID 102544993

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one (CID 55293497) is 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one is C=CCC(N)c1c[nH]c(=O)c(C)c1.
What is the InChIKey of 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is DEJSFKXUNGRPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-9(11)8-5-7(2)10(13)12-6-8/h3,5-6,9H,1,4,11H2,2H3,(H,12,13).
What are the key properties of 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one?
5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobut-3-enyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 55293497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).