2-methyl-1,8a-dihydroindolizine

C9H11N — CID 91276600

IUPAC2-methyl-1,8a-dihydroindolizine
SMILESCC1=CN2C=CC=CC2C1
InChIInChI=1S/C9H11N/c1-8-6-9-4-2-3-5-10(9)7-8/h2-5,7,9H,6H2,1H3
InChIKeyUVFPQKHXVHISFP-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.05
Rot. Bonds

About 2-methyl-1,8a-dihydroindolizine

2-methyl-1,8a-dihydroindolizine (PubChem CID 91276600) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methyl-1,8a-dihydroindolizine.

Molecular Properties

Compound Name2-methyl-1,8a-dihydroindolizine
PubChem CID91276600
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-methyl-1,8a-dihydroindolizine
SMILESCC1=CN2C=CC=CC2C1
InChIInChI=1S/C9H11N/c1-8-6-9-4-2-3-5-10(9)7-8/h2-5,7,9H,6H2,1H3
InChIKeyUVFPQKHXVHISFP-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,8a-dihydroindolizine?
The IUPAC name of 2-methyl-1,8a-dihydroindolizine (CID 91276600) is 2-methyl-1,8a-dihydroindolizine.
What is the SMILES notation for 2-methyl-1,8a-dihydroindolizine?
The canonical SMILES for 2-methyl-1,8a-dihydroindolizine is CC1=CN2C=CC=CC2C1.
What is the InChIKey of 2-methyl-1,8a-dihydroindolizine?
The InChIKey is UVFPQKHXVHISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-8-6-9-4-2-3-5-10(9)7-8/h2-5,7,9H,6H2,1H3.
What are the key properties of 2-methyl-1,8a-dihydroindolizine?
2-methyl-1,8a-dihydroindolizine has a molecular weight of 133.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,8a-dihydroindolizine is sourced from PubChem (CID 91276600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).