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

C7H11NO — CID 142417429

IUPAC5-methoxy-4-azaspiro[2.4]hept-4-ene
SMILESCOC1=NC2(CC1)CC2
InChIInChI=1S/C7H11NO/c1-9-6-2-3-7(8-6)4-5-7/h2-5H2,1H3
InChIKeyVWWHNILJLQBJGG-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.36
Rot. Bonds

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

5-methoxy-4-azaspiro[2.4]hept-4-ene (PubChem CID 142417429) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methoxy-4-azaspiro[2.4]hept-4-ene.

Molecular Properties

Compound Name5-methoxy-4-azaspiro[2.4]hept-4-ene
PubChem CID142417429
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-methoxy-4-azaspiro[2.4]hept-4-ene
SMILESCOC1=NC2(CC1)CC2
InChIInChI=1S/C7H11NO/c1-9-6-2-3-7(8-6)4-5-7/h2-5H2,1H3
InChIKeyVWWHNILJLQBJGG-UHFFFAOYSA-N
XLogP1.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-azaspiro[2.4]hept-4-ene?
The IUPAC name of 5-methoxy-4-azaspiro[2.4]hept-4-ene (CID 142417429) is 5-methoxy-4-azaspiro[2.4]hept-4-ene.
What is the SMILES notation for 5-methoxy-4-azaspiro[2.4]hept-4-ene?
The canonical SMILES for 5-methoxy-4-azaspiro[2.4]hept-4-ene is COC1=NC2(CC1)CC2.
What is the InChIKey of 5-methoxy-4-azaspiro[2.4]hept-4-ene?
The InChIKey is VWWHNILJLQBJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-6-2-3-7(8-6)4-5-7/h2-5H2,1H3.
What are the key properties of 5-methoxy-4-azaspiro[2.4]hept-4-ene?
5-methoxy-4-azaspiro[2.4]hept-4-ene has a molecular weight of 125.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-azaspiro[2.4]hept-4-ene is sourced from PubChem (CID 142417429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).