5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one

C14H13Cl2NO2 — CID 54721470

IUPAC5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one
SMILESCC1(C2CC2)NC(=O)C(c2cc(Cl)ccc2Cl)=C1O
InChIInChI=1S/C14H13Cl2NO2/c1-14(7-2-3-7)12(18)11(13(19)17-14)9-6-8(15)4-5-10(9)16/h4-7,18H,2-3H2,1H3,(H,17,19)
InChIKeyICVHPFDARWEMGK-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.56
Rot. Bonds2

About 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one

5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one (PubChem CID 54721470) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one
PubChem CID54721470
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one
SMILESCC1(C2CC2)NC(=O)C(c2cc(Cl)ccc2Cl)=C1O
InChIInChI=1S/C14H13Cl2NO2/c1-14(7-2-3-7)12(18)11(13(19)17-14)9-6-8(15)4-5-10(9)16/h4-7,18H,2-3H2,1H3,(H,17,19)
InChIKeyICVHPFDARWEMGK-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-3-(2,5-dichlorophenyl)-4,5-dimethyl-1H-pyrrol-2-one
CID 54346041
5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 106702974
sodium;5-cyclopropyl-4-hydroxy-3-(4-methoxy-2-methylphenyl)-5-methyl-1H-pyrrol-2-one;5-cyclopropyl-3-(4-methoxy-2-methylphenyl)-4,5-dimethyl-1H-pyrrol-2-one;methane;methanol;hydroxide
CID 158636852
3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
CID 171483099
3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 54721464
3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one
CID 59945447
(5R,7R)-3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-7-(2-methoxyethoxy)-1-azaspiro[4.5]dec-3-en-2-one
CID 67374307
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8,8-dimethyl-1-azaspiro[4.5]dec-3-en-2-one
CID 67375946
6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one
CID 91010488
(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 78790836
(2,5-dichlorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592107
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one?
The IUPAC name of 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one (CID 54721470) is 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one?
The canonical SMILES for 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one is CC1(C2CC2)NC(=O)C(c2cc(Cl)ccc2Cl)=C1O.
What is the InChIKey of 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one?
The InChIKey is ICVHPFDARWEMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-14(7-2-3-7)12(18)11(13(19)17-14)9-6-8(15)4-5-10(9)16/h4-7,18H,2-3H2,1H3,(H,17,19).
What are the key properties of 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one?
5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one has a molecular weight of 298.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-1H-pyrrol-2-one is sourced from PubChem (CID 54721470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).