1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C12H15N3O2 — CID 168697394

IUPAC1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNCc1ccccc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H15N3O2/c13-6-8-3-1-2-4-10(8)15-7-9(12(14)17)5-11(15)16/h1-4,9H,5-7,13H2,(H2,14,17)
InChIKeyRZSGORJGROLGGG-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.02
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697394) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697394
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNCc1ccccc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H15N3O2/c13-6-8-3-1-2-4-10(8)15-7-9(12(14)17)5-11(15)16/h1-4,9H,5-7,13H2,(H2,14,17)
InChIKeyRZSGORJGROLGGG-UHFFFAOYSA-N
XLogP-0.02
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
5-oxo-1-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 168696074
(3R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94671849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168697394) is 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is NCc1ccccc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZSGORJGROLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-6-8-3-1-2-4-10(8)15-7-9(12(14)17)5-11(15)16/h1-4,9H,5-7,13H2,(H2,14,17).
What are the key properties of 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).