4-azaspiro[2.4]heptane-7-carbonitrile;pyridine

C12H15N3 — CID 169219237

IUPAC4-azaspiro[2.4]heptane-7-carbonitrile;pyridine
SMILESN#CC1CCNC12CC2.c1ccncc1
InChIInChI=1S/C7H10N2.C5H5N/c8-5-6-1-4-9-7(6)2-3-7;1-2-4-6-5-3-1/h6,9H,1-4H2;1-5H
InChIKeyIGPAKPOHAUXEKF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.73
Rot. Bonds

About 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine

4-azaspiro[2.4]heptane-7-carbonitrile;pyridine (PubChem CID 169219237) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine.

Molecular Properties

Compound Name4-azaspiro[2.4]heptane-7-carbonitrile;pyridine
PubChem CID169219237
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-azaspiro[2.4]heptane-7-carbonitrile;pyridine
SMILESN#CC1CCNC12CC2.c1ccncc1
InChIInChI=1S/C7H10N2.C5H5N/c8-5-6-1-4-9-7(6)2-3-7;1-2-4-6-5-3-1/h6,9H,1-4H2;1-5H
InChIKeyIGPAKPOHAUXEKF-UHFFFAOYSA-N
XLogP1.73
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine?
The IUPAC name of 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine (CID 169219237) is 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine.
What is the SMILES notation for 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine?
The canonical SMILES for 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine is N#CC1CCNC12CC2.c1ccncc1.
What is the InChIKey of 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine?
The InChIKey is IGPAKPOHAUXEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C5H5N/c8-5-6-1-4-9-7(6)2-3-7;1-2-4-6-5-3-1/h6,9H,1-4H2;1-5H.
What are the key properties of 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine?
4-azaspiro[2.4]heptane-7-carbonitrile;pyridine has a molecular weight of 201.27 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.4]heptane-7-carbonitrile;pyridine is sourced from PubChem (CID 169219237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).