2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine

C19H34FN3O — CID 142070788

IUPAC2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine
SMILESC=C(N)C(F)C(CCCC)C(=O)N1CCCC1.C=CNCC(=C)C
InChIInChI=1S/C13H23FN2O.C6H11N/c1-3-4-7-11(12(14)10(2)15)13(17)16-8-5-6-9-16;1-4-7-5-6(2)3/h11-12H,2-9,15H2,1H3;4,7H,1-2,5H2,3H3
InChIKeyWUHUJIPGOQZBBI-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.52
Rot. Bonds9

About 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine

2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine (PubChem CID 142070788) has the molecular formula C19H34FN3O and a molecular weight of 339.50 g/mol. Its IUPAC name is 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine
PubChem CID142070788
Molecular FormulaC19H34FN3O
Molecular Weight339.50 g/mol
Exact Mass339.27
IUPAC Name2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine
SMILESC=C(N)C(F)C(CCCC)C(=O)N1CCCC1.C=CNCC(=C)C
InChIInChI=1S/C13H23FN2O.C6H11N/c1-3-4-7-11(12(14)10(2)15)13(17)16-8-5-6-9-16;1-4-7-5-6(2)3/h11-12H,2-9,15H2,1H3;4,7H,1-2,5H2,3H3
InChIKeyWUHUJIPGOQZBBI-UHFFFAOYSA-N
XLogP3.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine 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

2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
CID 142070801
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide
CID 142070812
ethane;ethenamine;4-ethyl-N-(2-methylhept-1-en-3-yl)-3-methylideneheptanamide
CID 142110016
4-[1-(Ethylamino)ethenyl]-1-heptylpyrrolidin-2-one;pentane
CID 144293876
pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one
CID 145305672
6-(2,5-dimethylidene-3-pentan-3-ylpyrrolidin-1-yl)-N-methyl-N-[2-(2-methylprop-2-enylamino)prop-2-enyl]hexanamide
CID 169850832
1-[9-[5-(3-Methylbut-1-en-2-ylamino)pentylamino]-2-methylidenedec-9-enyl]-5-methylidenepyrrolidin-2-one
CID 174196412
2-(2-Aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070802

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine?
The IUPAC name of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine (CID 142070788) is 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine is C=C(N)C(F)C(CCCC)C(=O)N1CCCC1.C=CNCC(=C)C.
What is the InChIKey of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine?
The InChIKey is WUHUJIPGOQZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O.C6H11N/c1-3-4-7-11(12(14)10(2)15)13(17)16-8-5-6-9-16;1-4-7-5-6(2)3/h11-12H,2-9,15H2,1H3;4,7H,1-2,5H2,3H3.
What are the key properties of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine?
2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine has a molecular weight of 339.50 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 142070788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).