(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one

C14H15BrN2O2 — CID 95615751

IUPAC(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC1
InChIInChI=1S/C14H15BrN2O2/c15-11-4-1-2-5-12(11)17-9-10(8-13(17)18)14(19)16-6-3-7-16/h1-2,4-5,10H,3,6-9H2/t10-/m1/s1
InChIKeyPRNFQFMRZYDZGD-SNVBAGLBSA-N
MW323.19 g/mol
LogP2.03
Rot. Bonds2

About (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one

(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one (PubChem CID 95615751) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
PubChem CID95615751
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC1
InChIInChI=1S/C14H15BrN2O2/c15-11-4-1-2-5-12(11)17-9-10(8-13(17)18)14(19)16-6-3-7-16/h1-2,4-5,10H,3,6-9H2/t10-/m1/s1
InChIKeyPRNFQFMRZYDZGD-SNVBAGLBSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 100712614
ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 120657752
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258507
(2S)-1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366202
1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56532644
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112767128

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one (CID 95615751) is (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC1.
What is the InChIKey of (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
The InChIKey is PRNFQFMRZYDZGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-4-1-2-5-12(11)17-9-10(8-13(17)18)14(19)16-6-3-7-16/h1-2,4-5,10H,3,6-9H2/t10-/m1/s1.
What are the key properties of (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one?
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one has a molecular weight of 323.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 95615751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).