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

C7H11N — CID 123612752

IUPAC4-methyl-5-azaspiro[2.4]hept-4-ene
SMILESCC1=NCCC12CC2
InChIInChI=1S/C7H11N/c1-6-7(2-3-7)4-5-8-6/h2-5H2,1H3
InChIKeyGCMDIYBZSZDFKP-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.63
Rot. Bonds

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

4-methyl-5-azaspiro[2.4]hept-4-ene (PubChem CID 123612752) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-methyl-5-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name4-methyl-5-azaspiro[2.4]hept-4-ene
PubChem CID123612752
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-methyl-5-azaspiro[2.4]hept-4-ene
SMILESCC1=NCCC12CC2
InChIInChI=1S/C7H11N/c1-6-7(2-3-7)4-5-8-6/h2-5H2,1H3
InChIKeyGCMDIYBZSZDFKP-UHFFFAOYSA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-azaspiro[2.4]hept-4-ene?
The IUPAC name of 4-methyl-5-azaspiro[2.4]hept-4-ene (CID 123612752) is 4-methyl-5-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for 4-methyl-5-azaspiro[2.4]hept-4-ene?
The canonical SMILES for 4-methyl-5-azaspiro[2.4]hept-4-ene is CC1=NCCC12CC2.
What is the InChIKey of 4-methyl-5-azaspiro[2.4]hept-4-ene?
The InChIKey is GCMDIYBZSZDFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-7(2-3-7)4-5-8-6/h2-5H2,1H3.
What are the key properties of 4-methyl-5-azaspiro[2.4]hept-4-ene?
4-methyl-5-azaspiro[2.4]hept-4-ene has a molecular weight of 109.17 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 123612752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).