5,7-dimethyl-2-phenylpyrrolizin-3-one

C15H13NO — CID 127034199

IUPAC5,7-dimethyl-2-phenylpyrrolizin-3-one
SMILESCc1cc(C)n2c1C=C(c1ccccc1)C2=O
InChIInChI=1S/C15H13NO/c1-10-8-11(2)16-14(10)9-13(15(16)17)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyUBNZSZZVNFRRSV-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.30
Rot. Bonds1

About 5,7-dimethyl-2-phenylpyrrolizin-3-one

5,7-dimethyl-2-phenylpyrrolizin-3-one (PubChem CID 127034199) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 5,7-dimethyl-2-phenylpyrrolizin-3-one.

Molecular Properties

Compound Name5,7-dimethyl-2-phenylpyrrolizin-3-one
PubChem CID127034199
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name5,7-dimethyl-2-phenylpyrrolizin-3-one
SMILESCc1cc(C)n2c1C=C(c1ccccc1)C2=O
InChIInChI=1S/C15H13NO/c1-10-8-11(2)16-14(10)9-13(15(16)17)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyUBNZSZZVNFRRSV-UHFFFAOYSA-N
XLogP3.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-phenylpyrrolizin-3-one?
The IUPAC name of 5,7-dimethyl-2-phenylpyrrolizin-3-one (CID 127034199) is 5,7-dimethyl-2-phenylpyrrolizin-3-one.
What is the SMILES notation for 5,7-dimethyl-2-phenylpyrrolizin-3-one?
The canonical SMILES for 5,7-dimethyl-2-phenylpyrrolizin-3-one is Cc1cc(C)n2c1C=C(c1ccccc1)C2=O.
What is the InChIKey of 5,7-dimethyl-2-phenylpyrrolizin-3-one?
The InChIKey is UBNZSZZVNFRRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-8-11(2)16-14(10)9-13(15(16)17)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 5,7-dimethyl-2-phenylpyrrolizin-3-one?
5,7-dimethyl-2-phenylpyrrolizin-3-one has a molecular weight of 223.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-phenylpyrrolizin-3-one is sourced from PubChem (CID 127034199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).