6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one

C10H14N2O — CID 59975130

IUPAC6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one
SMILESC=CCCc1ccc(NC)c(=O)[nH]1
InChIInChI=1S/C10H14N2O/c1-3-4-5-8-6-7-9(11-2)10(13)12-8/h3,6-7,11H,1,4-5H2,2H3,(H,12,13)
InChIKeyMEQZJFOPFJECSQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.54
Rot. Bonds4

About 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one

6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one (PubChem CID 59975130) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one
PubChem CID59975130
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one
SMILESC=CCCc1ccc(NC)c(=O)[nH]1
InChIInChI=1S/C10H14N2O/c1-3-4-5-8-6-7-9(11-2)10(13)12-8/h3,6-7,11H,1,4-5H2,2H3,(H,12,13)
InChIKeyMEQZJFOPFJECSQ-UHFFFAOYSA-N
XLogP1.54
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.54
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

Acetamide, N-(4-((2-(dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 27342
Acetamide, N-(4-(methylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 28942
Acetamide, N-(4-((2-(diethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
CID 203937
N-methyl-1,2,3,4-tetrahydropyridine-6-carboxamide
CID 177849394
6-but-3-enyl-1H-pyridin-2-one
CID 131886452
N-(6-butyl-2-oxo-1H-pyridin-3-yl)acetamide
CID 19012274
6-butyl-3-piperidin-1-yl-1H-pyridin-2-one
CID 19012275
6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one
CID 19012426
3-amino-6-propyl-2(1H)-Pyridinone
CID 21224547
3a,7a-dihydro-1H-indole-2-carboxamide
CID 22142229
6-ethyl-3-isocyano-1H-pyridin-2-one
CID 22943398
2-Hydroxy-6-(n-propyl)pyridine
CID 23352096

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one?
The IUPAC name of 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one (CID 59975130) is 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one.
What is the SMILES notation for 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one?
The canonical SMILES for 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one is C=CCCc1ccc(NC)c(=O)[nH]1.
What is the InChIKey of 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one?
The InChIKey is MEQZJFOPFJECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-5-8-6-7-9(11-2)10(13)12-8/h3,6-7,11H,1,4-5H2,2H3,(H,12,13).
What are the key properties of 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one?
6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-3-(methylamino)-1H-pyridin-2-one is sourced from PubChem (CID 59975130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).