9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene

C15H23N — CID 89257143

IUPAC9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene
SMILESC=C/C=C\C1=C(C)CC2(CCNCC2)CC1
InChIInChI=1S/C15H23N/c1-3-4-5-14-6-7-15(12-13(14)2)8-10-16-11-9-15/h3-5,16H,1,6-12H2,2H3/b5-4-
InChIKeyNZGBTQCKJRDUBQ-PLNGDYQASA-N
MW217.36 g/mol
LogP3.60
Rot. Bonds2

About 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene

9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene (PubChem CID 89257143) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene
PubChem CID89257143
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene
SMILESC=C/C=C\C1=C(C)CC2(CCNCC2)CC1
InChIInChI=1S/C15H23N/c1-3-4-5-14-6-7-15(12-13(14)2)8-10-16-11-9-15/h3-5,16H,1,6-12H2,2H3/b5-4-
InChIKeyNZGBTQCKJRDUBQ-PLNGDYQASA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene?
The IUPAC name of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene (CID 89257143) is 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene is C=C/C=C\C1=C(C)CC2(CCNCC2)CC1.
What is the InChIKey of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene?
The InChIKey is NZGBTQCKJRDUBQ-PLNGDYQASA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-5-14-6-7-15(12-13(14)2)8-10-16-11-9-15/h3-5,16H,1,6-12H2,2H3/b5-4-.
What are the key properties of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene?
9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene has a molecular weight of 217.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1Z)-buta-1,3-dienyl]-10-methyl-3-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 89257143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).