3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene

C13H20N2 — CID 89257142

IUPAC3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene
SMILESC/C=C\C=C/C1=CC2(CCNCC2)CN1
InChIInChI=1S/C13H20N2/c1-2-3-4-5-12-10-13(11-15-12)6-8-14-9-7-13/h2-5,10,14-15H,6-9,11H2,1H3/b3-2-,5-4-
InChIKeyYNWICSIDRVQJEK-LDIADDGTSA-N
MW204.32 g/mol
LogP1.98
Rot. Bonds2

About 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene

3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 89257142) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID89257142
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene
SMILESC/C=C\C=C/C1=CC2(CCNCC2)CN1
InChIInChI=1S/C13H20N2/c1-2-3-4-5-12-10-13(11-15-12)6-8-14-9-7-13/h2-5,10,14-15H,6-9,11H2,1H3/b3-2-,5-4-
InChIKeyYNWICSIDRVQJEK-LDIADDGTSA-N
XLogP1.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
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 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene (CID 89257142) is 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene is C/C=C\C=C/C1=CC2(CCNCC2)CN1.
What is the InChIKey of 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is YNWICSIDRVQJEK-LDIADDGTSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-4-5-12-10-13(11-15-12)6-8-14-9-7-13/h2-5,10,14-15H,6-9,11H2,1H3/b3-2-,5-4-.
What are the key properties of 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene?
3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 204.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 89257142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).