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

C15H17BrN2O3 — CID 40979269

IUPAC(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCOCC1
InChIInChI=1S/C15H17BrN2O3/c16-12-1-3-13(4-2-12)18-10-11(9-14(18)19)15(20)17-5-7-21-8-6-17/h1-4,11H,5-10H2/t11-/m1/s1
InChIKeyNELCCSFTWQHFGC-LLVKDONJSA-N
MW353.22 g/mol
LogP1.66
Rot. Bonds2

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

(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 40979269) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID40979269
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCOCC1
InChIInChI=1S/C15H17BrN2O3/c16-12-1-3-13(4-2-12)18-10-11(9-14(18)19)15(20)17-5-7-21-8-6-17/h1-4,11H,5-10H2/t11-/m1/s1
InChIKeyNELCCSFTWQHFGC-LLVKDONJSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
(4R)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857784
(4S)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857788
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97149949
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
1-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113188045
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 39034500
4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 139002141
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 40979269) is (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCOCC1.
What is the InChIKey of (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is NELCCSFTWQHFGC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c16-12-1-3-13(4-2-12)18-10-11(9-14(18)19)15(20)17-5-7-21-8-6-17/h1-4,11H,5-10H2/t11-/m1/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 353.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 40979269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).