1,5-dimethyl-2-phenyl-2H-pyrrol-3-one

C12H13NO — CID 174831246

IUPAC1,5-dimethyl-2-phenyl-2H-pyrrol-3-one
SMILESCC1=CC(=O)C(c2ccccc2)N1C
InChIInChI=1S/C12H13NO/c1-9-8-11(14)12(13(9)2)10-6-4-3-5-7-10/h3-8,12H,1-2H3
InChIKeyRURLGXCWBHDUSF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.15
Rot. Bonds1

About 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one

1,5-dimethyl-2-phenyl-2H-pyrrol-3-one (PubChem CID 174831246) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-2H-pyrrol-3-one
PubChem CID174831246
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,5-dimethyl-2-phenyl-2H-pyrrol-3-one
SMILESCC1=CC(=O)C(c2ccccc2)N1C
InChIInChI=1S/C12H13NO/c1-9-8-11(14)12(13(9)2)10-6-4-3-5-7-10/h3-8,12H,1-2H3
InChIKeyRURLGXCWBHDUSF-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one (CID 174831246) is 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one is CC1=CC(=O)C(c2ccccc2)N1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one?
The InChIKey is RURLGXCWBHDUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-8-11(14)12(13(9)2)10-6-4-3-5-7-10/h3-8,12H,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one?
1,5-dimethyl-2-phenyl-2H-pyrrol-3-one has a molecular weight of 187.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-2H-pyrrol-3-one is sourced from PubChem (CID 174831246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).