spiro[2.4]heptane-7-carbonitrile

C8H11N — CID 19813790

IUPACspiro[2.4]heptane-7-carbonitrile
SMILESN#CC1CCCC12CC2
InChIInChI=1S/C8H11N/c9-6-7-2-1-3-8(7)4-5-8/h7H,1-5H2
InChIKeyOAKKFAJYENVOMB-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.09
Rot. Bonds

About spiro[2.4]heptane-7-carbonitrile

spiro[2.4]heptane-7-carbonitrile (PubChem CID 19813790) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is spiro[2.4]heptane-7-carbonitrile.

Molecular Properties

Compound Namespiro[2.4]heptane-7-carbonitrile
PubChem CID19813790
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namespiro[2.4]heptane-7-carbonitrile
SMILESN#CC1CCCC12CC2
InChIInChI=1S/C8H11N/c9-6-7-2-1-3-8(7)4-5-8/h7H,1-5H2
InChIKeyOAKKFAJYENVOMB-UHFFFAOYSA-N
XLogP2.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.4]heptane-7-carbonitrile?
The IUPAC name of spiro[2.4]heptane-7-carbonitrile (CID 19813790) is spiro[2.4]heptane-7-carbonitrile.
What is the SMILES notation for spiro[2.4]heptane-7-carbonitrile?
The canonical SMILES for spiro[2.4]heptane-7-carbonitrile is N#CC1CCCC12CC2.
What is the InChIKey of spiro[2.4]heptane-7-carbonitrile?
The InChIKey is OAKKFAJYENVOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c9-6-7-2-1-3-8(7)4-5-8/h7H,1-5H2.
What are the key properties of spiro[2.4]heptane-7-carbonitrile?
spiro[2.4]heptane-7-carbonitrile has a molecular weight of 121.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.4]heptane-7-carbonitrile is sourced from PubChem (CID 19813790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).