2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine

C9H15N — CID 175976037

IUPAC2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine
SMILESC=C1CC2CCCCN2C1
InChIInChI=1S/C9H15N/c1-8-6-9-4-2-3-5-10(9)7-8/h9H,1-7H2
InChIKeyFAZYMSFBUZYMFN-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.80
Rot. Bonds

About 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine

2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine (PubChem CID 175976037) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine
PubChem CID175976037
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine
SMILESC=C1CC2CCCCN2C1
InChIInChI=1S/C9H15N/c1-8-6-9-4-2-3-5-10(9)7-8/h9H,1-7H2
InChIKeyFAZYMSFBUZYMFN-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine (CID 175976037) is 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine is C=C1CC2CCCCN2C1.
What is the InChIKey of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is FAZYMSFBUZYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-6-9-4-2-3-5-10(9)7-8/h9H,1-7H2.
What are the key properties of 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine?
2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 137.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 175976037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).