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

C9H15N — CID 70587294

IUPAC1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine
SMILESC=C1CCN2CCCCC12
InChIInChI=1S/C9H15N/c1-8-5-7-10-6-3-2-4-9(8)10/h9H,1-7H2
InChIKeyPRSHQWRGVVSDOI-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.80
Rot. Bonds

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

1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine (PubChem CID 70587294) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine.

Molecular Properties

Compound Name1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine
PubChem CID70587294
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine
SMILESC=C1CCN2CCCCC12
InChIInChI=1S/C9H15N/c1-8-5-7-10-6-3-2-4-9(8)10/h9H,1-7H2
InChIKeyPRSHQWRGVVSDOI-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The IUPAC name of 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine (CID 70587294) is 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine.
What is the SMILES notation for 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The canonical SMILES for 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine is C=C1CCN2CCCCC12.
What is the InChIKey of 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine?
The InChIKey is PRSHQWRGVVSDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-5-7-10-6-3-2-4-9(8)10/h9H,1-7H2.
What are the key properties of 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine?
1-methylidene-3,5,6,7,8,8a-hexahydro-2H-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 1-methylidene-3,5,6,7,8,8a-hexahydro-2H-indolizine is sourced from PubChem (CID 70587294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).