(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate

C10H12BrNO2 — CID 139190819

IUPAC(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate
SMILESO.O=C1C[C@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H10BrNO.H2O/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;/h1-4,8H,5-6H2,(H,12,13);1H2/t8-;/m0./s1
InChIKeyQYUXRHPGDINOCY-QRPNPIFTSA-N
MW258.12 g/mol
LogP1.23
Rot. Bonds1

About (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate

(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate (PubChem CID 139190819) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate.

Molecular Properties

Compound Name(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate
PubChem CID139190819
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate
SMILESO.O=C1C[C@H](c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H10BrNO.H2O/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;/h1-4,8H,5-6H2,(H,12,13);1H2/t8-;/m0./s1
InChIKeyQYUXRHPGDINOCY-QRPNPIFTSA-N
XLogP1.23
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Phenyl-2-pyrrolidinone
CID 121397
3-Bromophenylsuccinimide
CID 65706
3-(3-bromophenyl)-N-ethylpropanamide
CID 44531540
(2S,3S)-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895802
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
(2S,3S)-2-amino-3-(4-bromophenyl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 10087948
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928
2-Pyrrolidinone, 3-phenyl-
CID 201789
3-Benzylpyrrolidin-2-one
CID 10241299
(4R)-4-phenylpyrrolidin-2-one
CID 641621
N-(3-Phenyl)propyl-2-(4-bromophenylacetamide)
CID 44578696
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
CID 2117799

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate?
The IUPAC name of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate (CID 139190819) is (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate.
What is the SMILES notation for (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate?
The canonical SMILES for (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate is O.O=C1C[C@H](c2ccc(Br)cc2)CN1.
What is the InChIKey of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate?
The InChIKey is QYUXRHPGDINOCY-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10BrNO.H2O/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8;/h1-4,8H,5-6H2,(H,12,13);1H2/t8-;/m0./s1.
What are the key properties of (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate?
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate has a molecular weight of 258.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromophenyl)pyrrolidin-2-one;hydrate is sourced from PubChem (CID 139190819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).