4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene

C14H21NO — CID 143782141

IUPAC4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=C/C=C\C1=C(C)OCC12CCN(C)CC2
InChIInChI=1S/C14H21NO/c1-4-5-6-13-12(2)16-11-14(13)7-9-15(3)10-8-14/h4-6H,1,7-11H2,2-3H3/b6-5-
InChIKeyAVQXPKSIJBZVCU-WAYWQWQTSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene

4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 143782141) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID143782141
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=C/C=C\C1=C(C)OCC12CCN(C)CC2
InChIInChI=1S/C14H21NO/c1-4-5-6-13-12(2)16-11-14(13)7-9-15(3)10-8-14/h4-6H,1,7-11H2,2-3H3/b6-5-
InChIKeyAVQXPKSIJBZVCU-WAYWQWQTSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene (CID 143782141) is 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene is C=C/C=C\C1=C(C)OCC12CCN(C)CC2.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is AVQXPKSIJBZVCU-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-6-13-12(2)16-11-14(13)7-9-15(3)10-8-14/h4-6H,1,7-11H2,2-3H3/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 219.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 143782141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).