1,3,3-trimethyl-5-phenylpyrrol-2-one

C13H15NO — CID 132938819

IUPAC1,3,3-trimethyl-5-phenylpyrrol-2-one
SMILESCN1C(=O)C(C)(C)C=C1c1ccccc1
InChIInChI=1S/C13H15NO/c1-13(2)9-11(14(3)12(13)15)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyMOKKVTRVBWCXGA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.53
Rot. Bonds1

About 1,3,3-trimethyl-5-phenylpyrrol-2-one

1,3,3-trimethyl-5-phenylpyrrol-2-one (PubChem CID 132938819) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-phenylpyrrol-2-one
PubChem CID132938819
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,3,3-trimethyl-5-phenylpyrrol-2-one
SMILESCN1C(=O)C(C)(C)C=C1c1ccccc1
InChIInChI=1S/C13H15NO/c1-13(2)9-11(14(3)12(13)15)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyMOKKVTRVBWCXGA-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-phenylpyrrol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-phenylpyrrol-2-one (CID 132938819) is 1,3,3-trimethyl-5-phenylpyrrol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-phenylpyrrol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-phenylpyrrol-2-one is CN1C(=O)C(C)(C)C=C1c1ccccc1.
What is the InChIKey of 1,3,3-trimethyl-5-phenylpyrrol-2-one?
The InChIKey is MOKKVTRVBWCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2)9-11(14(3)12(13)15)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 1,3,3-trimethyl-5-phenylpyrrol-2-one?
1,3,3-trimethyl-5-phenylpyrrol-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-phenylpyrrol-2-one is sourced from PubChem (CID 132938819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).