2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one

C13H23FN2O — CID 142070789

IUPAC2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
SMILESC=C(N)C(F)C(CCCC)C(=O)N1CCCC1
InChIInChI=1S/C13H23FN2O/c1-3-4-7-11(12(14)10(2)15)13(17)16-8-5-6-9-16/h11-12H,2-9,15H2,1H3
InChIKeyJUDSRLYZWVVLKP-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.23
Rot. Bonds6

About 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one

2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 142070789) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
PubChem CID142070789
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
SMILESC=C(N)C(F)C(CCCC)C(=O)N1CCCC1
InChIInChI=1S/C13H23FN2O/c1-3-4-7-11(12(14)10(2)15)13(17)16-8-5-6-9-16/h11-12H,2-9,15H2,1H3
InChIKeyJUDSRLYZWVVLKP-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-Methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride
CID 145099496
1-Ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
CID 166916743
N-methyl-2-(1-methyl-2-methylidenepyrrolidin-3-yl)acetamide
CID 59931993
1-Methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 118857753
1-Methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 126589429
(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one
CID 129126472
5-(Dimethylamino)-2-ethyl-4-methyl-1-pyrrolidin-1-ylhex-5-en-1-one
CID 132100522
(3R,4S,5S)-3-ethyl-5-methyl-4-[methyl(4-methylpent-1-en-2-yl)amino]-1-pyrrolidin-1-ylheptan-1-one
CID 132172407
(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
CID 139455843
1-Butyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 139456062
2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine
CID 142070788
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
CID 142070801

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one (CID 142070789) is 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one is C=C(N)C(F)C(CCCC)C(=O)N1CCCC1.
What is the InChIKey of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is JUDSRLYZWVVLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-3-4-7-11(12(14)10(2)15)13(17)16-8-5-6-9-16/h11-12H,2-9,15H2,1H3.
What are the key properties of 2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one?
2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 242.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 142070789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).