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

C13H19NO — CID 134365723

IUPAC4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=C/C=C\C1=COCC12CCN(C)CC2
InChIInChI=1S/C13H19NO/c1-3-4-5-12-10-15-11-13(12)6-8-14(2)9-7-13/h3-5,10H,1,6-9,11H2,2H3/b5-4-
InChIKeyRDCFVMCDZQZXSB-PLNGDYQASA-N
MW205.30 g/mol
LogP2.35
Rot. Bonds2

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

4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 134365723) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID134365723
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=C/C=C\C1=COCC12CCN(C)CC2
InChIInChI=1S/C13H19NO/c1-3-4-5-12-10-15-11-13(12)6-8-14(2)9-7-13/h3-5,10H,1,6-9,11H2,2H3/b5-4-
InChIKeyRDCFVMCDZQZXSB-PLNGDYQASA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene (CID 134365723) is 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene is C=C/C=C\C1=COCC12CCN(C)CC2.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is RDCFVMCDZQZXSB-PLNGDYQASA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-12-10-15-11-13(12)6-8-14(2)9-7-13/h3-5,10H,1,6-9,11H2,2H3/b5-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene?
4-[(1Z)-buta-1,3-dienyl]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 205.30 g/mol, XLogP of 2.35, 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]-8-methyl-2-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 134365723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).