2,7-diazaspiro[4.4]nona-3,8-diene

C7H10N2 — CID 142573410

IUPAC2,7-diazaspiro[4.4]nona-3,8-diene
SMILESC1=CC2(C=CNC2)CN1
InChIInChI=1S/C7H10N2/c1-3-8-5-7(1)2-4-9-6-7/h1-4,8-9H,5-6H2
InChIKeySDVNSZMAHBBKPN-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.21
Rot. Bonds

About 2,7-diazaspiro[4.4]nona-3,8-diene

2,7-diazaspiro[4.4]nona-3,8-diene (PubChem CID 142573410) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nona-3,8-diene.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nona-3,8-diene
PubChem CID142573410
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,7-diazaspiro[4.4]nona-3,8-diene
SMILESC1=CC2(C=CNC2)CN1
InChIInChI=1S/C7H10N2/c1-3-8-5-7(1)2-4-9-6-7/h1-4,8-9H,5-6H2
InChIKeySDVNSZMAHBBKPN-UHFFFAOYSA-N
XLogP0.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.21
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]nona-3,8-diene?
The IUPAC name of 2,7-diazaspiro[4.4]nona-3,8-diene (CID 142573410) is 2,7-diazaspiro[4.4]nona-3,8-diene.
What is the SMILES notation for 2,7-diazaspiro[4.4]nona-3,8-diene?
The canonical SMILES for 2,7-diazaspiro[4.4]nona-3,8-diene is C1=CC2(C=CNC2)CN1.
What is the InChIKey of 2,7-diazaspiro[4.4]nona-3,8-diene?
The InChIKey is SDVNSZMAHBBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-8-5-7(1)2-4-9-6-7/h1-4,8-9H,5-6H2.
What are the key properties of 2,7-diazaspiro[4.4]nona-3,8-diene?
2,7-diazaspiro[4.4]nona-3,8-diene has a molecular weight of 122.17 g/mol, XLogP of 0.21, 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]nona-3,8-diene is sourced from PubChem (CID 142573410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).