6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene

C11H17N — CID 91578126

IUPAC6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene
SMILESC=C1C=CC2(CN2)C(CCC)C1
InChIInChI=1S/C11H17N/c1-3-4-10-7-9(2)5-6-11(10)8-12-11/h5-6,10,12H,2-4,7-8H2,1H3
InChIKeyGXORURZXZISSNI-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.26
Rot. Bonds2

About 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene

6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene (PubChem CID 91578126) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene.

Molecular Properties

Compound Name6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene
PubChem CID91578126
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene
SMILESC=C1C=CC2(CN2)C(CCC)C1
InChIInChI=1S/C11H17N/c1-3-4-10-7-9(2)5-6-11(10)8-12-11/h5-6,10,12H,2-4,7-8H2,1H3
InChIKeyGXORURZXZISSNI-UHFFFAOYSA-N
XLogP2.26
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene?
The IUPAC name of 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene (CID 91578126) is 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene.
What is the SMILES notation for 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene?
The canonical SMILES for 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene is C=C1C=CC2(CN2)C(CCC)C1.
What is the InChIKey of 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene?
The InChIKey is GXORURZXZISSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-10-7-9(2)5-6-11(10)8-12-11/h5-6,10,12H,2-4,7-8H2,1H3.
What are the key properties of 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene?
6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene has a molecular weight of 163.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-propyl-1-azaspiro[2.5]oct-7-ene is sourced from PubChem (CID 91578126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).