2,7-diazaspiro[4.6]undec-9-ene

C9H16N2 — CID 23135340

IUPAC2,7-diazaspiro[4.6]undec-9-ene
SMILESC1=CCC2(CCNC2)CNC1
InChIInChI=1S/C9H16N2/c1-2-5-10-7-9(3-1)4-6-11-8-9/h1-2,10-11H,3-8H2
InChIKeyYNOGOYZDUPXSET-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.52
Rot. Bonds

About 2,7-diazaspiro[4.6]undec-9-ene

2,7-diazaspiro[4.6]undec-9-ene (PubChem CID 23135340) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,7-diazaspiro[4.6]undec-9-ene.

Molecular Properties

Compound Name2,7-diazaspiro[4.6]undec-9-ene
PubChem CID23135340
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,7-diazaspiro[4.6]undec-9-ene
SMILESC1=CCC2(CCNC2)CNC1
InChIInChI=1S/C9H16N2/c1-2-5-10-7-9(3-1)4-6-11-8-9/h1-2,10-11H,3-8H2
InChIKeyYNOGOYZDUPXSET-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.6]undec-9-ene?
The IUPAC name of 2,7-diazaspiro[4.6]undec-9-ene (CID 23135340) is 2,7-diazaspiro[4.6]undec-9-ene.
What is the SMILES notation for 2,7-diazaspiro[4.6]undec-9-ene?
The canonical SMILES for 2,7-diazaspiro[4.6]undec-9-ene is C1=CCC2(CCNC2)CNC1.
What is the InChIKey of 2,7-diazaspiro[4.6]undec-9-ene?
The InChIKey is YNOGOYZDUPXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-5-10-7-9(3-1)4-6-11-8-9/h1-2,10-11H,3-8H2.
What are the key properties of 2,7-diazaspiro[4.6]undec-9-ene?
2,7-diazaspiro[4.6]undec-9-ene has a molecular weight of 152.24 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.6]undec-9-ene is sourced from PubChem (CID 23135340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).