1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione

C12H10ClNO2 — CID 43236228

IUPAC1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C12H10ClNO2/c1-8-6-11(15)14(12(8)16)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3
InChIKeyKYAWFSFOQHEYQO-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.16
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione

1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione (PubChem CID 43236228) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
PubChem CID43236228
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C12H10ClNO2/c1-8-6-11(15)14(12(8)16)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3
InChIKeyKYAWFSFOQHEYQO-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354793
7-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 60711867
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733
1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572019
3-[(2-chlorophenyl)methylamino]-1-methylpyrrole-2,5-dione
CID 174940852
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
(15S,19R)-17-[(2-chlorophenyl)methyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1317679
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572017
1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
CID 944822
3-[(2-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726677
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione (CID 43236228) is 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione?
The InChIKey is KYAWFSFOQHEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8-6-11(15)14(12(8)16)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione has a molecular weight of 235.67 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43236228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).