[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate

C11H17NO — CID 139322034

IUPAC[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate
SMILESCC(C)/C=C1/CCC(C)(OC#N)C1
InChIInChI=1S/C11H17NO/c1-9(2)6-10-4-5-11(3,7-10)13-8-12/h6,9H,4-5,7H2,1-3H3/b10-6-
InChIKeyFEXCQTZBEZYOSM-POHAHGRESA-N
MW179.26 g/mol
LogP3.01
Rot. Bonds2

About [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate

[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate (PubChem CID 139322034) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate.

Molecular Properties

Compound Name[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate
PubChem CID139322034
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate
SMILESCC(C)/C=C1/CCC(C)(OC#N)C1
InChIInChI=1S/C11H17NO/c1-9(2)6-10-4-5-11(3,7-10)13-8-12/h6,9H,4-5,7H2,1-3H3/b10-6-
InChIKeyFEXCQTZBEZYOSM-POHAHGRESA-N
XLogP3.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate 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 [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate?
The IUPAC name of [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate (CID 139322034) is [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate.
What is the SMILES notation for [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate?
The canonical SMILES for [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate is CC(C)/C=C1/CCC(C)(OC#N)C1.
What is the InChIKey of [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate?
The InChIKey is FEXCQTZBEZYOSM-POHAHGRESA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)6-10-4-5-11(3,7-10)13-8-12/h6,9H,4-5,7H2,1-3H3/b10-6-.
What are the key properties of [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate?
[(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate has a molecular weight of 179.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-1-methyl-3-(2-methylpropylidene)cyclopentyl] cyanate is sourced from PubChem (CID 139322034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).