3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one

C14H17NO — CID 20820546

IUPAC3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H17NO/c1-10-9-15(14(16)11(10)2)12(3)13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3
InChIKeySBHJVRVAKBTUQZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.93
Rot. Bonds2

About 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one

3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one (PubChem CID 20820546) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
PubChem CID20820546
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H17NO/c1-10-9-15(14(16)11(10)2)12(3)13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3
InChIKeySBHJVRVAKBTUQZ-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one (CID 20820546) is 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one is CC1=C(C)C(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is SBHJVRVAKBTUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-9-15(14(16)11(10)2)12(3)13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one?
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 215.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 20820546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).