6-methyl-3,8-dihydro-2H-indolizine-5,7-dione

C9H11NO2 — CID 56985632

IUPAC6-methyl-3,8-dihydro-2H-indolizine-5,7-dione
SMILESCC1C(=O)CC2=CCCN2C1=O
InChIInChI=1S/C9H11NO2/c1-6-8(11)5-7-3-2-4-10(7)9(6)12/h3,6H,2,4-5H2,1H3
InChIKeyJLTRKLVAUGXNBE-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.71
Rot. Bonds

About 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione

6-methyl-3,8-dihydro-2H-indolizine-5,7-dione (PubChem CID 56985632) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione.

Molecular Properties

Compound Name6-methyl-3,8-dihydro-2H-indolizine-5,7-dione
PubChem CID56985632
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name6-methyl-3,8-dihydro-2H-indolizine-5,7-dione
SMILESCC1C(=O)CC2=CCCN2C1=O
InChIInChI=1S/C9H11NO2/c1-6-8(11)5-7-3-2-4-10(7)9(6)12/h3,6H,2,4-5H2,1H3
InChIKeyJLTRKLVAUGXNBE-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione?
The IUPAC name of 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione (CID 56985632) is 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione.
What is the SMILES notation for 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione?
The canonical SMILES for 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione is CC1C(=O)CC2=CCCN2C1=O.
What is the InChIKey of 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione?
The InChIKey is JLTRKLVAUGXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-8(11)5-7-3-2-4-10(7)9(6)12/h3,6H,2,4-5H2,1H3.
What are the key properties of 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione?
6-methyl-3,8-dihydro-2H-indolizine-5,7-dione has a molecular weight of 165.19 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,8-dihydro-2H-indolizine-5,7-dione is sourced from PubChem (CID 56985632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).