(2S)-spiro[2.5]octane-2-carbonitrile

C9H13N — CID 95562300

IUPAC(2S)-spiro[2.5]octane-2-carbonitrile
SMILESN#C[C@H]1CC12CCCCC2
InChIInChI=1S/C9H13N/c10-7-8-6-9(8)4-2-1-3-5-9/h8H,1-6H2/t8-/m1/s1
InChIKeyLOJIHOFTODDKQS-MRVPVSSYSA-N
MW135.21 g/mol
LogP2.48
Rot. Bonds

About (2S)-spiro[2.5]octane-2-carbonitrile

(2S)-spiro[2.5]octane-2-carbonitrile (PubChem CID 95562300) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2S)-spiro[2.5]octane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-spiro[2.5]octane-2-carbonitrile
PubChem CID95562300
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2S)-spiro[2.5]octane-2-carbonitrile
SMILESN#C[C@H]1CC12CCCCC2
InChIInChI=1S/C9H13N/c10-7-8-6-9(8)4-2-1-3-5-9/h8H,1-6H2/t8-/m1/s1
InChIKeyLOJIHOFTODDKQS-MRVPVSSYSA-N
XLogP2.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-spiro[2.5]octane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-spiro[2.5]octane-2-carbonitrile?
The IUPAC name of (2S)-spiro[2.5]octane-2-carbonitrile (CID 95562300) is (2S)-spiro[2.5]octane-2-carbonitrile.
What is the SMILES notation for (2S)-spiro[2.5]octane-2-carbonitrile?
The canonical SMILES for (2S)-spiro[2.5]octane-2-carbonitrile is N#C[C@H]1CC12CCCCC2.
What is the InChIKey of (2S)-spiro[2.5]octane-2-carbonitrile?
The InChIKey is LOJIHOFTODDKQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N/c10-7-8-6-9(8)4-2-1-3-5-9/h8H,1-6H2/t8-/m1/s1.
What are the key properties of (2S)-spiro[2.5]octane-2-carbonitrile?
(2S)-spiro[2.5]octane-2-carbonitrile has a molecular weight of 135.21 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-spiro[2.5]octane-2-carbonitrile is sourced from PubChem (CID 95562300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).