1,7-diazaspiro[2.5]oct-6-ene

C6H10N2 — CID 91235391

IUPAC1,7-diazaspiro[2.5]oct-6-ene
SMILESC1=NCC2(CC1)CN2
InChIInChI=1S/C6H10N2/c1-2-6(5-8-6)4-7-3-1/h3,8H,1-2,4-5H2
InChIKeyAHCKGWFUIHFHAW-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.19
Rot. Bonds

About 1,7-diazaspiro[2.5]oct-6-ene

1,7-diazaspiro[2.5]oct-6-ene (PubChem CID 91235391) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1,7-diazaspiro[2.5]oct-6-ene.

Molecular Properties

Compound Name1,7-diazaspiro[2.5]oct-6-ene
PubChem CID91235391
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1,7-diazaspiro[2.5]oct-6-ene
SMILESC1=NCC2(CC1)CN2
InChIInChI=1S/C6H10N2/c1-2-6(5-8-6)4-7-3-1/h3,8H,1-2,4-5H2
InChIKeyAHCKGWFUIHFHAW-UHFFFAOYSA-N
XLogP0.19
TPSA34.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,7-diazaspiro[4.5]dec-7-ene
CID 91049043
2,9-diazaspiro[5.5]undec-2-ene
CID 91606190
1-azaspiro[2.6]nonane;propane
CID 171101466
1-azaspiro[4.5]dec-1-ene
CID 59047363
5-oxa-8-azaspiro[3.5]non-7-ene
CID 123627438
8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64884642
1-azaspiro[4.5]dec-1-ene;hydrochloride
CID 142640162
2-azaspiro[3.3]heptane
CID 20521856
1,5,8-triazaspiro[2.6]nonane
CID 23135285
5-oxa-1-azaspiro[2.3]hexane
CID 154013605
1-azaspiro[2.5]octan-6-one
CID 141436270
5,5-dimethyl-1,4-dihydropyrazole
CID 557772

Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[2.5]oct-6-ene?
The IUPAC name of 1,7-diazaspiro[2.5]oct-6-ene (CID 91235391) is 1,7-diazaspiro[2.5]oct-6-ene.
What is the SMILES notation for 1,7-diazaspiro[2.5]oct-6-ene?
The canonical SMILES for 1,7-diazaspiro[2.5]oct-6-ene is C1=NCC2(CC1)CN2.
What is the InChIKey of 1,7-diazaspiro[2.5]oct-6-ene?
The InChIKey is AHCKGWFUIHFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6(5-8-6)4-7-3-1/h3,8H,1-2,4-5H2.
What are the key properties of 1,7-diazaspiro[2.5]oct-6-ene?
1,7-diazaspiro[2.5]oct-6-ene has a molecular weight of 110.16 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[2.5]oct-6-ene is sourced from PubChem (CID 91235391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).