2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one

C11H18N2O — CID 114409263

IUPAC2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H18N2O/c1-3-4-10(12)11(14)13-7-5-9(2)6-8-13/h3,5,10H,1,4,6-8,12H2,2H3
InChIKeyPELHFSDNYDFZJH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds3

About 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one

2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one (PubChem CID 114409263) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one
PubChem CID114409263
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H18N2O/c1-3-4-10(12)11(14)13-7-5-9(2)6-8-13/h3,5,10H,1,4,6-8,12H2,2H3
InChIKeyPELHFSDNYDFZJH-UHFFFAOYSA-N
XLogP1.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 104921234
2-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409539
(2S)-2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 107146692
(2S)-2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylsulfanylbutan-1-one
CID 104921225
2-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409422
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 104921230
(2S)-2-chloro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494250
2-bromo-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114408480
ethyl 3,3-dimethyl-2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)butanoate
CID 114382905
(2R)-2-amino-3-(1H-indol-3-yl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 104921233
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one
CID 102957240

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one (CID 114409263) is 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one is C=CCC(N)C(=O)N1CC=C(C)CC1.
What is the InChIKey of 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one?
The InChIKey is PELHFSDNYDFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-10(12)11(14)13-7-5-9(2)6-8-13/h3,5,10H,1,4,6-8,12H2,2H3.
What are the key properties of 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one?
2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one has a molecular weight of 194.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one is sourced from PubChem (CID 114409263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).