1,10-diazaspiro[4.5]deca-1,3-diene

C8H12N2 — CID 66764220

IUPAC1,10-diazaspiro[4.5]deca-1,3-diene
SMILESC1=CC2(CCCCN2)N=C1
InChIInChI=1S/C8H12N2/c1-2-6-9-8(4-1)5-3-7-10-8/h3,5,7,9H,1-2,4,6H2
InChIKeyHLYJDQWSFBPFOE-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds

About 1,10-diazaspiro[4.5]deca-1,3-diene

1,10-diazaspiro[4.5]deca-1,3-diene (PubChem CID 66764220) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,10-diazaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name1,10-diazaspiro[4.5]deca-1,3-diene
PubChem CID66764220
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,10-diazaspiro[4.5]deca-1,3-diene
SMILESC1=CC2(CCCCN2)N=C1
InChIInChI=1S/C8H12N2/c1-2-6-9-8(4-1)5-3-7-10-8/h3,5,7,9H,1-2,4,6H2
InChIKeyHLYJDQWSFBPFOE-UHFFFAOYSA-N
XLogP1.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazaspiro[4.5]deca-1,3-diene?
The IUPAC name of 1,10-diazaspiro[4.5]deca-1,3-diene (CID 66764220) is 1,10-diazaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for 1,10-diazaspiro[4.5]deca-1,3-diene?
The canonical SMILES for 1,10-diazaspiro[4.5]deca-1,3-diene is C1=CC2(CCCCN2)N=C1.
What is the InChIKey of 1,10-diazaspiro[4.5]deca-1,3-diene?
The InChIKey is HLYJDQWSFBPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-9-8(4-1)5-3-7-10-8/h3,5,7,9H,1-2,4,6H2.
What are the key properties of 1,10-diazaspiro[4.5]deca-1,3-diene?
1,10-diazaspiro[4.5]deca-1,3-diene has a molecular weight of 136.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 66764220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).