2,7-diazaspiro[4.4]non-3-ene

C7H12N2 — CID 23135247

IUPAC2,7-diazaspiro[4.4]non-3-ene
SMILESC1=CC2(CCNC2)CN1
InChIInChI=1S/C7H12N2/c1-3-8-5-7(1)2-4-9-6-7/h1,3,8-9H,2,4-6H2
InChIKeyRLTIGUOFTMJDCN-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.08
Rot. Bonds

About 2,7-diazaspiro[4.4]non-3-ene

2,7-diazaspiro[4.4]non-3-ene (PubChem CID 23135247) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]non-3-ene
PubChem CID23135247
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,7-diazaspiro[4.4]non-3-ene
SMILESC1=CC2(CCNC2)CN1
InChIInChI=1S/C7H12N2/c1-3-8-5-7(1)2-4-9-6-7/h1,3,8-9H,2,4-6H2
InChIKeyRLTIGUOFTMJDCN-UHFFFAOYSA-N
XLogP0.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]non-3-ene?
The IUPAC name of 2,7-diazaspiro[4.4]non-3-ene (CID 23135247) is 2,7-diazaspiro[4.4]non-3-ene.
What is the SMILES notation for 2,7-diazaspiro[4.4]non-3-ene?
The canonical SMILES for 2,7-diazaspiro[4.4]non-3-ene is C1=CC2(CCNC2)CN1.
What is the InChIKey of 2,7-diazaspiro[4.4]non-3-ene?
The InChIKey is RLTIGUOFTMJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-8-5-7(1)2-4-9-6-7/h1,3,8-9H,2,4-6H2.
What are the key properties of 2,7-diazaspiro[4.4]non-3-ene?
2,7-diazaspiro[4.4]non-3-ene has a molecular weight of 124.19 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]non-3-ene is sourced from PubChem (CID 23135247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).