1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one

C19H18BrNO — CID 118368449

IUPAC1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one
SMILESO=C1C(c2ccccc2C2CC2)CCN1c1ccc(Br)cc1
InChIInChI=1S/C19H18BrNO/c20-14-7-9-15(10-8-14)21-12-11-18(19(21)22)17-4-2-1-3-16(17)13-5-6-13/h1-4,7-10,13,18H,5-6,11-12H2
InChIKeyHAUYGFZRDAZSCY-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.85
Rot. Bonds3

About 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one

1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one (PubChem CID 118368449) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one
PubChem CID118368449
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one
SMILESO=C1C(c2ccccc2C2CC2)CCN1c1ccc(Br)cc1
InChIInChI=1S/C19H18BrNO/c20-14-7-9-15(10-8-14)21-12-11-18(19(21)22)17-4-2-1-3-16(17)13-5-6-13/h1-4,7-10,13,18H,5-6,11-12H2
InChIKeyHAUYGFZRDAZSCY-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
1-(4-bromophenyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 118368378
(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine
CID 150696992
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
CID 138567201
3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
1-(4-bromophenyl)-3-indazol-1-ylpyrrolidin-2-one
CID 118373035
(15S,19R)-17-(4-bromophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1106975
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
1-(4-bromophenyl)-3-[(6-fluoro-2-pyridinyl)amino]pyrrolidin-2-one
CID 139544136
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine
CID 151323058
(3R)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one;(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one;[1-(4-bromophenyl)-2-oxopyrrolidin-3-yl] acetate
CID 162100444

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one (CID 118368449) is 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one is O=C1C(c2ccccc2C2CC2)CCN1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one?
The InChIKey is HAUYGFZRDAZSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO/c20-14-7-9-15(10-8-14)21-12-11-18(19(21)22)17-4-2-1-3-16(17)13-5-6-13/h1-4,7-10,13,18H,5-6,11-12H2.
What are the key properties of 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one?
1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one has a molecular weight of 356.26 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 118368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).