(2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane

C10H14N2 — CID 100948955

IUPAC(2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane
SMILESC=C1CCCC[C@]12C[C@@H]2C=[N+]=[N-]
InChIInChI=1S/C10H14N2/c1-8-4-2-3-5-10(8)6-9(10)7-12-11/h7,9H,1-6H2/t9-,10+/m1/s1
InChIKeyFDUJIDOVWNRHAI-ZJUUUORDSA-N
MW162.24 g/mol
LogP2.42
Rot. Bonds1

About (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane

(2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane (PubChem CID 100948955) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane.

Molecular Properties

Compound Name(2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane
PubChem CID100948955
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane
SMILESC=C1CCCC[C@]12C[C@@H]2C=[N+]=[N-]
InChIInChI=1S/C10H14N2/c1-8-4-2-3-5-10(8)6-9(10)7-12-11/h7,9H,1-6H2/t9-,10+/m1/s1
InChIKeyFDUJIDOVWNRHAI-ZJUUUORDSA-N
XLogP2.42
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane with MolForge

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

Launch Full Analysis

Related Compounds

trans-(1S,3R)-1-(6-diazo-3-ethenylidenehexyl)-1,3-dimethyl-2-methylidenecyclohexane
CID 178338821

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane?
The IUPAC name of (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane (CID 100948955) is (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane.
What is the SMILES notation for (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane?
The canonical SMILES for (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane is C=C1CCCC[C@]12C[C@@H]2C=[N+]=[N-].
What is the InChIKey of (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane?
The InChIKey is FDUJIDOVWNRHAI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-4-2-3-5-10(8)6-9(10)7-12-11/h7,9H,1-6H2/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane?
(2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane has a molecular weight of 162.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(diazomethyl)-8-methylidenespiro[2.5]octane is sourced from PubChem (CID 100948955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).