2-methylindolizin-3-olate

C9H8NO- — CID 18737577

IUPAC2-methylindolizin-3-olate
SMILESCc1cc2ccccn2c1[O-]
InChIInChI=1S/C9H9NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h2-6,11H,1H3/p-1
InChIKeyOFPGETCMUKBJQY-UHFFFAOYSA-M
MW146.17 g/mol
LogP1.32
Rot. Bonds

About 2-methylindolizin-3-olate

2-methylindolizin-3-olate (PubChem CID 18737577) has the molecular formula C9H8NO- and a molecular weight of 146.17 g/mol. Its IUPAC name is 2-methylindolizin-3-olate.

Molecular Properties

Compound Name2-methylindolizin-3-olate
PubChem CID18737577
Molecular FormulaC9H8NO-
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Name2-methylindolizin-3-olate
SMILESCc1cc2ccccn2c1[O-]
InChIInChI=1S/C9H9NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h2-6,11H,1H3/p-1
InChIKeyOFPGETCMUKBJQY-UHFFFAOYSA-M
XLogP1.32
TPSA27.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxymethyl-1-methylindole
CID 23406
8-Methylindolizine
CID 582624
2-Methylindolizine
CID 582630
7-Methylindolizine
CID 582635
6-Methylindolizine
CID 583043
2,5-Dimethylindolizine
CID 589043
2,3-Dimethylindolizine
CID 589048
1,2-Dimethylindolizine
CID 11252085
2-(4-Methoxyphenyl)indolizine
CID 346949
1-Methyl-5-(pyridin-3-yl)-1H-pyrrol-2-ol
CID 53919010
Trimethylindolizine
CID 20593645
Indolizine, 3,7-dimethyl-
CID 59539272

Frequently Asked Questions

What is the IUPAC name of 2-methylindolizin-3-olate?
The IUPAC name of 2-methylindolizin-3-olate (CID 18737577) is 2-methylindolizin-3-olate.
What is the SMILES notation for 2-methylindolizin-3-olate?
The canonical SMILES for 2-methylindolizin-3-olate is Cc1cc2ccccn2c1[O-].
What is the InChIKey of 2-methylindolizin-3-olate?
The InChIKey is OFPGETCMUKBJQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h2-6,11H,1H3/p-1.
What are the key properties of 2-methylindolizin-3-olate?
2-methylindolizin-3-olate has a molecular weight of 146.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindolizin-3-olate is sourced from PubChem (CID 18737577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).