1-methyl-2,3-dihydro-1H-indolizin-5-one

C9H11NO — CID 102163881

IUPAC1-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC1CCn2c1cccc2=O
InChIInChI=1S/C9H11NO/c1-7-5-6-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3
InChIKeyGXUKKLWUSCPMJR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.36
Rot. Bonds

About 1-methyl-2,3-dihydro-1H-indolizin-5-one

1-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 102163881) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-methyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID102163881
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC1CCn2c1cccc2=O
InChIInChI=1S/C9H11NO/c1-7-5-6-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3
InChIKeyGXUKKLWUSCPMJR-UHFFFAOYSA-N
XLogP1.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydroindolizin-5(1H)-one
CID 13616825
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 122633271
1,1-Difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122633859
1,1-Difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608812
1-fluoro-6-methyl-8-propan-2-yl-2,3-dihydro-1H-indolizin-5-one
CID 126608819
1-Fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608823
1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 145172225
6,7-Dihydroindolizin-3(5H)-one
CID 15521415
2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
1-Methyl-2-oxo-5-methylenindenopyridine
CID 129799724
3-methyl-2,3-dihydro-1H-indolizin-5-one
CID 13616827

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 1-methyl-2,3-dihydro-1H-indolizin-5-one (CID 102163881) is 1-methyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 1-methyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 1-methyl-2,3-dihydro-1H-indolizin-5-one is CC1CCn2c1cccc2=O.
What is the InChIKey of 1-methyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is GXUKKLWUSCPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-5-6-10-8(7)3-2-4-9(10)11/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydro-1H-indolizin-5-one?
1-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 149.19 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 102163881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).