[(Z)-(4-cyanocyclooctylidene)amino] acetate

C11H16N2O2 — CID 118511271

IUPAC[(Z)-(4-cyanocyclooctylidene)amino] acetate
SMILESCC(=O)O/N=C1/CCCCC(C#N)CC1
InChIInChI=1S/C11H16N2O2/c1-9(14)15-13-11-5-3-2-4-10(8-12)6-7-11/h10H,2-7H2,1H3/b13-11-
InChIKeyIEGHCWQCKWAYHT-QBFSEMIESA-N
MW208.26 g/mol
LogP2.40
Rot. Bonds1

About [(Z)-(4-cyanocyclooctylidene)amino] acetate

[(Z)-(4-cyanocyclooctylidene)amino] acetate (PubChem CID 118511271) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(Z)-(4-cyanocyclooctylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(4-cyanocyclooctylidene)amino] acetate
PubChem CID118511271
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[(Z)-(4-cyanocyclooctylidene)amino] acetate
SMILESCC(=O)O/N=C1/CCCCC(C#N)CC1
InChIInChI=1S/C11H16N2O2/c1-9(14)15-13-11-5-3-2-4-10(8-12)6-7-11/h10H,2-7H2,1H3/b13-11-
InChIKeyIEGHCWQCKWAYHT-QBFSEMIESA-N
XLogP2.40
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(4-cyanocyclooctylidene)amino] acetate 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

[(4-Cyanocyclooctylidene)amino] acetate
CID 118511272
[(E)-6-cyanononan-3-ylideneamino] acetate
CID 118511280
[(E)-4-cyanohexan-2-ylideneamino] acetate
CID 118511282
[(E)-5-cyanooctan-3-ylideneamino] acetate
CID 118511311
[(E)-(3-cyanocyclononylidene)amino] acetate
CID 118511327
[(E)-(4-cyanocyclooctyl)methylideneamino] acetate
CID 118511384
[(E)-1-(2-cyanocyclohexyl)ethylideneamino] acetate
CID 118511410
[(E)-5-cyanooctan-2-ylideneamino] acetate
CID 118511473
[1-(3-Cyanocyclohexyl)ethylideneamino] acetate
CID 118511483
[(E)-(4-cyanocycloundecylidene)amino] acetate
CID 118511489
[(4-Cyanocycloundecylidene)amino] acetate
CID 118511492
[(E)-(3-cyanocycloheptylidene)amino] acetate
CID 118511494

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-cyanocyclooctylidene)amino] acetate?
The IUPAC name of [(Z)-(4-cyanocyclooctylidene)amino] acetate (CID 118511271) is [(Z)-(4-cyanocyclooctylidene)amino] acetate.
What is the SMILES notation for [(Z)-(4-cyanocyclooctylidene)amino] acetate?
The canonical SMILES for [(Z)-(4-cyanocyclooctylidene)amino] acetate is CC(=O)O/N=C1/CCCCC(C#N)CC1.
What is the InChIKey of [(Z)-(4-cyanocyclooctylidene)amino] acetate?
The InChIKey is IEGHCWQCKWAYHT-QBFSEMIESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)15-13-11-5-3-2-4-10(8-12)6-7-11/h10H,2-7H2,1H3/b13-11-.
What are the key properties of [(Z)-(4-cyanocyclooctylidene)amino] acetate?
[(Z)-(4-cyanocyclooctylidene)amino] acetate has a molecular weight of 208.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-cyanocyclooctylidene)amino] acetate is sourced from PubChem (CID 118511271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).