[(3-cyanocyclopentylidene)amino] acetate

C8H10N2O2 — CID 140887417

IUPAC[(3-cyanocyclopentylidene)amino] acetate
SMILESCC(=O)ON=C1CCC(C#N)C1
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-8-3-2-7(4-8)5-9/h7H,2-4H2,1H3
InChIKeyMXWDEQSRXBTRTE-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.23
Rot. Bonds1

About [(3-cyanocyclopentylidene)amino] acetate

[(3-cyanocyclopentylidene)amino] acetate (PubChem CID 140887417) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [(3-cyanocyclopentylidene)amino] acetate.

Molecular Properties

Compound Name[(3-cyanocyclopentylidene)amino] acetate
PubChem CID140887417
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[(3-cyanocyclopentylidene)amino] acetate
SMILESCC(=O)ON=C1CCC(C#N)C1
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-8-3-2-7(4-8)5-9/h7H,2-4H2,1H3
InChIKeyMXWDEQSRXBTRTE-UHFFFAOYSA-N
XLogP1.23
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.23
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'}

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Related Compounds

[(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)-5-cyanooctan-2-ylideneamino] acetate
CID 118511473
[(E)-(4-cyanocycloundecylidene)amino] acetate
CID 118511489
[(4-Cyanocycloundecylidene)amino] acetate
CID 118511492
[(E)-(3-cyanocycloheptylidene)amino] acetate
CID 118511494
[(E)-4-cyanoheptan-2-ylideneamino] acetate
CID 118511500
[(Z)-(2-cyanocyclohexylidene)amino] acetate
CID 118511502
[(E)-(3-cyanocyclododecylidene)amino] acetate
CID 118511523
[(3-Cyanocyclododecylidene)amino] acetate
CID 118511524
[(E)-3-cyanopentan-2-ylideneamino] acetate
CID 118511539

Frequently Asked Questions

What is the IUPAC name of [(3-cyanocyclopentylidene)amino] acetate?
The IUPAC name of [(3-cyanocyclopentylidene)amino] acetate (CID 140887417) is [(3-cyanocyclopentylidene)amino] acetate.
What is the SMILES notation for [(3-cyanocyclopentylidene)amino] acetate?
The canonical SMILES for [(3-cyanocyclopentylidene)amino] acetate is CC(=O)ON=C1CCC(C#N)C1.
What is the InChIKey of [(3-cyanocyclopentylidene)amino] acetate?
The InChIKey is MXWDEQSRXBTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(11)12-10-8-3-2-7(4-8)5-9/h7H,2-4H2,1H3.
What are the key properties of [(3-cyanocyclopentylidene)amino] acetate?
[(3-cyanocyclopentylidene)amino] acetate has a molecular weight of 166.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-cyanocyclopentylidene)amino] acetate is sourced from PubChem (CID 140887417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).