[(E)-(3-cyanocyclopentylidene)amino] acetate

C8H10N2O2 — CID 118511566

IUPAC[(E)-(3-cyanocyclopentylidene)amino] acetate
SMILESCC(=O)O/N=C1\CCC(C#N)C1
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-8-3-2-7(4-8)5-9/h7H,2-4H2,1H3/b10-8+
InChIKeyMXWDEQSRXBTRTE-CSKARUKUSA-N
MW166.18 g/mol
LogP1.23
Rot. Bonds1

About [(E)-(3-cyanocyclopentylidene)amino] acetate

[(E)-(3-cyanocyclopentylidene)amino] acetate (PubChem CID 118511566) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [(E)-(3-cyanocyclopentylidene)amino] acetate.

Molecular Properties

Compound Name[(E)-(3-cyanocyclopentylidene)amino] acetate
PubChem CID118511566
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[(E)-(3-cyanocyclopentylidene)amino] acetate
SMILESCC(=O)O/N=C1\CCC(C#N)C1
InChIInChI=1S/C8H10N2O2/c1-6(11)12-10-8-3-2-7(4-8)5-9/h7H,2-4H2,1H3/b10-8+
InChIKeyMXWDEQSRXBTRTE-CSKARUKUSA-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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Frequently Asked Questions

What is the IUPAC name of [(E)-(3-cyanocyclopentylidene)amino] acetate?
The IUPAC name of [(E)-(3-cyanocyclopentylidene)amino] acetate (CID 118511566) is [(E)-(3-cyanocyclopentylidene)amino] acetate.
What is the SMILES notation for [(E)-(3-cyanocyclopentylidene)amino] acetate?
The canonical SMILES for [(E)-(3-cyanocyclopentylidene)amino] acetate is CC(=O)O/N=C1\CCC(C#N)C1.
What is the InChIKey of [(E)-(3-cyanocyclopentylidene)amino] acetate?
The InChIKey is MXWDEQSRXBTRTE-CSKARUKUSA-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/b10-8+.
What are the key properties of [(E)-(3-cyanocyclopentylidene)amino] acetate?
[(E)-(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 [(E)-(3-cyanocyclopentylidene)amino] acetate is sourced from PubChem (CID 118511566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).