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

C14H21N — CID 155702976

IUPAC3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene
SMILESC=C/C=C\C1=C(C)CC2(CCNCC2)C1
InChIInChI=1S/C14H21N/c1-3-4-5-13-11-14(10-12(13)2)6-8-15-9-7-14/h3-5,15H,1,6-11H2,2H3/b5-4-
InChIKeyLHLYBOXKMMGHQZ-PLNGDYQASA-N
MW203.33 g/mol
LogP3.21
Rot. Bonds2

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

3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene (PubChem CID 155702976) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene
PubChem CID155702976
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene
SMILESC=C/C=C\C1=C(C)CC2(CCNCC2)C1
InChIInChI=1S/C14H21N/c1-3-4-5-13-11-14(10-12(13)2)6-8-15-9-7-14/h3-5,15H,1,6-11H2,2H3/b5-4-
InChIKeyLHLYBOXKMMGHQZ-PLNGDYQASA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane
CID 155709835
1-buta-1,3-dienyl-2-methylcycloocta-1,5-diene
CID 173320452
4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine
CID 86710783
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydro-1H-pyrrole;ethane
CID 145474616
4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
CID 138613893
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
CID 89192695
ethane;spiro[1,3-dihydroindene-2,4'-piperidine]
CID 168950333
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
7-[(1Z)-buta-1,3-dienyl]-8-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]-2-azaspiro[4.5]dec-7-en-1-one
CID 145438936
4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine
CID 20655803
4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
CID 89245531
(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
CID 144783390

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene (CID 155702976) is 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene is C=C/C=C\C1=C(C)CC2(CCNCC2)C1.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene?
The InChIKey is LHLYBOXKMMGHQZ-PLNGDYQASA-N. The full InChI is InChI=1S/C14H21N/c1-3-4-5-13-11-14(10-12(13)2)6-8-15-9-7-14/h3-5,15H,1,6-11H2,2H3/b5-4-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene?
3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene has a molecular weight of 203.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 155702976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).