6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one

C15H17NO — CID 86234429

IUPAC6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
SMILESCC1=C(c2ccccc2)N2CCCC2CC1=O
InChIInChI=1S/C15H17NO/c1-11-14(17)10-13-8-5-9-16(13)15(11)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyVTUVVGADDCXFQO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.85
Rot. Bonds1

About 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one

6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one (PubChem CID 86234429) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
PubChem CID86234429
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
SMILESCC1=C(c2ccccc2)N2CCCC2CC1=O
InChIInChI=1S/C15H17NO/c1-11-14(17)10-13-8-5-9-16(13)15(11)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyVTUVVGADDCXFQO-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The IUPAC name of 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one (CID 86234429) is 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one.
What is the SMILES notation for 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The canonical SMILES for 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one is CC1=C(c2ccccc2)N2CCCC2CC1=O.
What is the InChIKey of 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
The InChIKey is VTUVVGADDCXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-14(17)10-13-8-5-9-16(13)15(11)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one?
6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one has a molecular weight of 227.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one is sourced from PubChem (CID 86234429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).