3-amino-1-benzylpyrrolidin-2-one

C11H14N2O — CID 47002372

IUPAC3-amino-1-benzylpyrrolidin-2-one
SMILESNC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H14N2O/c12-10-6-7-13(11(10)14)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyPYQJCASYSZKDLN-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.75
Rot. Bonds2

About 3-amino-1-benzylpyrrolidin-2-one

3-amino-1-benzylpyrrolidin-2-one (PubChem CID 47002372) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-benzylpyrrolidin-2-one
PubChem CID47002372
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-1-benzylpyrrolidin-2-one
SMILESNC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H14N2O/c12-10-6-7-13(11(10)14)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKeyPYQJCASYSZKDLN-UHFFFAOYSA-N
XLogP0.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
(3S)-3-amino-1-[(2-chloroquinolin-5-yl)methyl]pyrrolidin-2-one
CID 20680734
3-amino-1-[(2-chloroquinolin-5-yl)methyl]pyrrolidin-2-one
CID 18176326
1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
CID 166943014
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 94799079

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzylpyrrolidin-2-one?
The IUPAC name of 3-amino-1-benzylpyrrolidin-2-one (CID 47002372) is 3-amino-1-benzylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-benzylpyrrolidin-2-one?
The canonical SMILES for 3-amino-1-benzylpyrrolidin-2-one is NC1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 3-amino-1-benzylpyrrolidin-2-one?
The InChIKey is PYQJCASYSZKDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-6-7-13(11(10)14)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2.
What are the key properties of 3-amino-1-benzylpyrrolidin-2-one?
3-amino-1-benzylpyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 47002372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).