3-methylindolizine

C9H9N — CID 582623

IUPAC3-methylindolizine
SMILESCc1ccc2ccccn12
InChIInChI=1S/C9H9N/c1-8-5-6-9-4-2-3-7-10(8)9/h2-7H,1H3
InChIKeyCYKDCKOWQNJDAS-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.25
Rot. Bonds

About 3-methylindolizine

3-methylindolizine (PubChem CID 582623) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methylindolizine.

Molecular Properties

Compound Name3-methylindolizine
PubChem CID582623
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3-methylindolizine
SMILESCc1ccc2ccccn12
InChIInChI=1S/C9H9N/c1-8-5-6-9-4-2-3-7-10(8)9/h2-7H,1H3
InChIKeyCYKDCKOWQNJDAS-UHFFFAOYSA-N
XLogP2.25
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylindolizine?
The IUPAC name of 3-methylindolizine (CID 582623) is 3-methylindolizine.
What is the SMILES notation for 3-methylindolizine?
The canonical SMILES for 3-methylindolizine is Cc1ccc2ccccn12.
What is the InChIKey of 3-methylindolizine?
The InChIKey is CYKDCKOWQNJDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-8-5-6-9-4-2-3-7-10(8)9/h2-7H,1H3.
What are the key properties of 3-methylindolizine?
3-methylindolizine has a molecular weight of 131.18 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylindolizine is sourced from PubChem (CID 582623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).