6-azaspiro[3.4]octane-2-carbonitrile

C8H12N2 — CID 131553753

IUPAC6-azaspiro[3.4]octane-2-carbonitrile
SMILESN#CC1CC2(CCNC2)C1
InChIInChI=1S/C8H12N2/c9-5-7-3-8(4-7)1-2-10-6-8/h7,10H,1-4,6H2
InChIKeyUQOFDPRGKPXJKE-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.90
Rot. Bonds

About 6-azaspiro[3.4]octane-2-carbonitrile

6-azaspiro[3.4]octane-2-carbonitrile (PubChem CID 131553753) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-azaspiro[3.4]octane-2-carbonitrile.

Molecular Properties

Compound Name6-azaspiro[3.4]octane-2-carbonitrile
PubChem CID131553753
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-azaspiro[3.4]octane-2-carbonitrile
SMILESN#CC1CC2(CCNC2)C1
InChIInChI=1S/C8H12N2/c9-5-7-3-8(4-7)1-2-10-6-8/h7,10H,1-4,6H2
InChIKeyUQOFDPRGKPXJKE-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octane-2-carbonitrile?
The IUPAC name of 6-azaspiro[3.4]octane-2-carbonitrile (CID 131553753) is 6-azaspiro[3.4]octane-2-carbonitrile.
What is the SMILES notation for 6-azaspiro[3.4]octane-2-carbonitrile?
The canonical SMILES for 6-azaspiro[3.4]octane-2-carbonitrile is N#CC1CC2(CCNC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octane-2-carbonitrile?
The InChIKey is UQOFDPRGKPXJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-7-3-8(4-7)1-2-10-6-8/h7,10H,1-4,6H2.
What are the key properties of 6-azaspiro[3.4]octane-2-carbonitrile?
6-azaspiro[3.4]octane-2-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octane-2-carbonitrile is sourced from PubChem (CID 131553753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).