(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate

C12H14BrNO3 — CID 142352445

IUPAC(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
SMILESCOC=O.O=C1C[C@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H10BrNO.C2H4O2/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;1-4-2-3/h1-4,8H,5-6H2,(H,12,13);2H,1H3/t8-;/m0./s1
InChIKeyYZTADBTXSLMSDL-QRPNPIFTSA-N
MW300.15 g/mol
LogP1.84
Rot. Bonds2

About (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate

(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate (PubChem CID 142352445) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate.

Molecular Properties

Compound Name(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
PubChem CID142352445
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
SMILESCOC=O.O=C1C[C@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H10BrNO.C2H4O2/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;1-4-2-3/h1-4,8H,5-6H2,(H,12,13);2H,1H3/t8-;/m0./s1
InChIKeyYZTADBTXSLMSDL-QRPNPIFTSA-N
XLogP1.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390
4-(4-acetylphenyl)pyrrolidin-2-one
CID 53417765
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 114155204
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
3-(4-fluorophenyl)cyclobutan-1-one;methyl formate
CID 175301276
4,6-bis(4-bromophenyl)piperidin-2-one
CID 71303235
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
4-(4-bromophenyl)piperidine-2,5-dione
CID 82625295
4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
CID 102567776

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate?
The IUPAC name of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate (CID 142352445) is (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate.
What is the SMILES notation for (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate?
The canonical SMILES for (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate is COC=O.O=C1C[C@H](c2ccc(Br)cc2)CN1.
What is the InChIKey of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate?
The InChIKey is YZTADBTXSLMSDL-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10BrNO.C2H4O2/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;1-4-2-3/h1-4,8H,5-6H2,(H,12,13);2H,1H3/t8-;/m0./s1.
What are the key properties of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate?
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate has a molecular weight of 300.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate is sourced from PubChem (CID 142352445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).