3,5-dimethyl-5H-indolizin-8-one

C10H11NO — CID 171935623

IUPAC3,5-dimethyl-5H-indolizin-8-one
SMILESCc1ccc2n1C(C)C=CC2=O
InChIInChI=1S/C10H11NO/c1-7-3-5-9-10(12)6-4-8(2)11(7)9/h3-6,8H,1-2H3
InChIKeyIUKVEZASTLXHJZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.11
Rot. Bonds

About 3,5-dimethyl-5H-indolizin-8-one

3,5-dimethyl-5H-indolizin-8-one (PubChem CID 171935623) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3,5-dimethyl-5H-indolizin-8-one.

Molecular Properties

Compound Name3,5-dimethyl-5H-indolizin-8-one
PubChem CID171935623
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3,5-dimethyl-5H-indolizin-8-one
SMILESCc1ccc2n1C(C)C=CC2=O
InChIInChI=1S/C10H11NO/c1-7-3-5-9-10(12)6-4-8(2)11(7)9/h3-6,8H,1-2H3
InChIKeyIUKVEZASTLXHJZ-UHFFFAOYSA-N
XLogP2.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5H-indolizin-8-one?
The IUPAC name of 3,5-dimethyl-5H-indolizin-8-one (CID 171935623) is 3,5-dimethyl-5H-indolizin-8-one.
What is the SMILES notation for 3,5-dimethyl-5H-indolizin-8-one?
The canonical SMILES for 3,5-dimethyl-5H-indolizin-8-one is Cc1ccc2n1C(C)C=CC2=O.
What is the InChIKey of 3,5-dimethyl-5H-indolizin-8-one?
The InChIKey is IUKVEZASTLXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-3-5-9-10(12)6-4-8(2)11(7)9/h3-6,8H,1-2H3.
What are the key properties of 3,5-dimethyl-5H-indolizin-8-one?
3,5-dimethyl-5H-indolizin-8-one has a molecular weight of 161.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5H-indolizin-8-one is sourced from PubChem (CID 171935623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).