3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione

C14H14ClNO3 — CID 110581863

IUPAC3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(O)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClNO3/c1-8(2)7-16-13(18)11(12(17)14(16)19)9-3-5-10(15)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyBNWBPUNBDKYHDJ-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.63
Rot. Bonds3

About 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110581863) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110581863
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(O)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClNO3/c1-8(2)7-16-13(18)11(12(17)14(16)19)9-3-5-10(15)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyBNWBPUNBDKYHDJ-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110581858
3-(4-chlorophenyl)sulfanyl-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110544215
1-(3-butoxypropyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581868
3-(4-chlorophenyl)-4-(3,5-dimethoxyanilino)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110599479
3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110570022
5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
CID 101230766
3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581599
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
3-(4-chlorophenyl)-4-hydroxy-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110581819
3-(4-chlorophenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110570042
3-chloro-1-(2-methylpropyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584608
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110581863) is 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione is CC(C)CN1C(=O)C(O)=C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is BNWBPUNBDKYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-8(2)7-16-13(18)11(12(17)14(16)19)9-3-5-10(15)6-4-9/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 279.72 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).