2-ethylidene-6-azaspiro[3.4]octane

C9H15N — CID 142581763

IUPAC2-ethylidene-6-azaspiro[3.4]octane
SMILESCC=C1CC2(CCNC2)C1
InChIInChI=1S/C9H15N/c1-2-8-5-9(6-8)3-4-10-7-9/h2,10H,3-7H2,1H3/b8-2-
InChIKeyVEVTVIUXQBCMCK-WAPJZHGLSA-N
MW137.23 g/mol
LogP1.71
Rot. Bonds

About 2-ethylidene-6-azaspiro[3.4]octane

2-ethylidene-6-azaspiro[3.4]octane (PubChem CID 142581763) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-ethylidene-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-ethylidene-6-azaspiro[3.4]octane
PubChem CID142581763
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-ethylidene-6-azaspiro[3.4]octane
SMILESCC=C1CC2(CCNC2)C1
InChIInChI=1S/C9H15N/c1-2-8-5-9(6-8)3-4-10-7-9/h2,10H,3-7H2,1H3/b8-2-
InChIKeyVEVTVIUXQBCMCK-WAPJZHGLSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 2-ethylidene-6-azaspiro[3.4]octane?
The IUPAC name of 2-ethylidene-6-azaspiro[3.4]octane (CID 142581763) is 2-ethylidene-6-azaspiro[3.4]octane.
What is the SMILES notation for 2-ethylidene-6-azaspiro[3.4]octane?
The canonical SMILES for 2-ethylidene-6-azaspiro[3.4]octane is CC=C1CC2(CCNC2)C1.
What is the InChIKey of 2-ethylidene-6-azaspiro[3.4]octane?
The InChIKey is VEVTVIUXQBCMCK-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8-5-9(6-8)3-4-10-7-9/h2,10H,3-7H2,1H3/b8-2-.
What are the key properties of 2-ethylidene-6-azaspiro[3.4]octane?
2-ethylidene-6-azaspiro[3.4]octane has a molecular weight of 137.23 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-6-azaspiro[3.4]octane is sourced from PubChem (CID 142581763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).