4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one

C16H20BrN3O2 — CID 119633918

IUPAC4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
SMILESNCC1CCCN1C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H20BrN3O2/c17-12-3-1-4-13(8-12)20-10-11(7-15(20)21)16(22)19-6-2-5-14(19)9-18/h1,3-4,8,11,14H,2,5-7,9-10,18H2
InChIKeyPFPDVOHLQPBNBR-UHFFFAOYSA-N
MW366.26 g/mol
LogP1.75
Rot. Bonds3

About 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one

4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one (PubChem CID 119633918) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
PubChem CID119633918
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
SMILESNCC1CCCN1C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H20BrN3O2/c17-12-3-1-4-13(8-12)20-10-11(7-15(20)21)16(22)19-6-2-5-14(19)9-18/h1,3-4,8,11,14H,2,5-7,9-10,18H2
InChIKeyPFPDVOHLQPBNBR-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-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

1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119466766
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95352964
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608316
1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 121146435
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 43058804

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one (CID 119633918) is 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one is NCC1CCCN1C(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one?
The InChIKey is PFPDVOHLQPBNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c17-12-3-1-4-13(8-12)20-10-11(7-15(20)21)16(22)19-6-2-5-14(19)9-18/h1,3-4,8,11,14H,2,5-7,9-10,18H2.
What are the key properties of 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one?
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one has a molecular weight of 366.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 119633918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).