5-azaspiro[2.4]hept-4-ene

C6H9N — CID 20521846

IUPAC5-azaspiro[2.4]hept-4-ene
SMILESC1=NCCC12CC2
InChIInChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h5H,1-4H2
InChIKeyGMDRMRBZXYLZQP-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.24
Rot. Bonds

About 5-azaspiro[2.4]hept-4-ene

5-azaspiro[2.4]hept-4-ene (PubChem CID 20521846) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 5-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name5-azaspiro[2.4]hept-4-ene
PubChem CID20521846
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name5-azaspiro[2.4]hept-4-ene
SMILESC1=NCCC12CC2
InChIInChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h5H,1-4H2
InChIKeyGMDRMRBZXYLZQP-UHFFFAOYSA-N
XLogP1.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]hept-4-ene?
The IUPAC name of 5-azaspiro[2.4]hept-4-ene (CID 20521846) is 5-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for 5-azaspiro[2.4]hept-4-ene?
The canonical SMILES for 5-azaspiro[2.4]hept-4-ene is C1=NCCC12CC2.
What is the InChIKey of 5-azaspiro[2.4]hept-4-ene?
The InChIKey is GMDRMRBZXYLZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h5H,1-4H2.
What are the key properties of 5-azaspiro[2.4]hept-4-ene?
5-azaspiro[2.4]hept-4-ene has a molecular weight of 95.14 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 20521846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).