1-azaspiro[3.3]hept-6-ene

C6H9N — CID 163503322

IUPAC1-azaspiro[3.3]hept-6-ene
SMILESC1=CC2(C1)CCN2
InChIInChI=1S/C6H9N/c1-2-6(3-1)4-5-7-6/h1-2,7H,3-5H2
InChIKeyCWOVMOJYMRYNLS-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.68
Rot. Bonds

About 1-azaspiro[3.3]hept-6-ene

1-azaspiro[3.3]hept-6-ene (PubChem CID 163503322) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1-azaspiro[3.3]hept-6-ene.

Molecular Properties

Compound Name1-azaspiro[3.3]hept-6-ene
PubChem CID163503322
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name1-azaspiro[3.3]hept-6-ene
SMILESC1=CC2(C1)CCN2
InChIInChI=1S/C6H9N/c1-2-6(3-1)4-5-7-6/h1-2,7H,3-5H2
InChIKeyCWOVMOJYMRYNLS-UHFFFAOYSA-N
XLogP0.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.68
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 1-azaspiro[3.3]hept-6-ene?
The IUPAC name of 1-azaspiro[3.3]hept-6-ene (CID 163503322) is 1-azaspiro[3.3]hept-6-ene.
What is the SMILES notation for 1-azaspiro[3.3]hept-6-ene?
The canonical SMILES for 1-azaspiro[3.3]hept-6-ene is C1=CC2(C1)CCN2.
What is the InChIKey of 1-azaspiro[3.3]hept-6-ene?
The InChIKey is CWOVMOJYMRYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6(3-1)4-5-7-6/h1-2,7H,3-5H2.
What are the key properties of 1-azaspiro[3.3]hept-6-ene?
1-azaspiro[3.3]hept-6-ene has a molecular weight of 95.14 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[3.3]hept-6-ene is sourced from PubChem (CID 163503322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).