1-methylidene-8aH-indolizine

C9H9N — CID 67477419

IUPAC1-methylidene-8aH-indolizine
SMILESC=C1C=CN2C=CC=CC12
InChIInChI=1S/C9H9N/c1-8-5-7-10-6-3-2-4-9(8)10/h2-7,9H,1H2
InChIKeyJIOVRECBKNTZTI-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.82
Rot. Bonds

About 1-methylidene-8aH-indolizine

1-methylidene-8aH-indolizine (PubChem CID 67477419) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-methylidene-8aH-indolizine.

Molecular Properties

Compound Name1-methylidene-8aH-indolizine
PubChem CID67477419
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name1-methylidene-8aH-indolizine
SMILESC=C1C=CN2C=CC=CC12
InChIInChI=1S/C9H9N/c1-8-5-7-10-6-3-2-4-9(8)10/h2-7,9H,1H2
InChIKeyJIOVRECBKNTZTI-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-8aH-indolizine?
The IUPAC name of 1-methylidene-8aH-indolizine (CID 67477419) is 1-methylidene-8aH-indolizine.
What is the SMILES notation for 1-methylidene-8aH-indolizine?
The canonical SMILES for 1-methylidene-8aH-indolizine is C=C1C=CN2C=CC=CC12.
What is the InChIKey of 1-methylidene-8aH-indolizine?
The InChIKey is JIOVRECBKNTZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-8-5-7-10-6-3-2-4-9(8)10/h2-7,9H,1H2.
What are the key properties of 1-methylidene-8aH-indolizine?
1-methylidene-8aH-indolizine has a molecular weight of 131.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-8aH-indolizine is sourced from PubChem (CID 67477419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).