[(Z)-(2-cyanocyclobutylidene)amino] acetate

C7H8N2O2 — CID 118511274

IUPAC[(Z)-(2-cyanocyclobutylidene)amino] acetate
SMILESCC(=O)O/N=C1/CCC1C#N
InChIInChI=1S/C7H8N2O2/c1-5(10)11-9-7-3-2-6(7)4-8/h6H,2-3H2,1H3/b9-7-
InChIKeyRBKCICQGHGDLBY-CLFYSBASSA-N
MW152.15 g/mol
LogP0.84
Rot. Bonds1

About [(Z)-(2-cyanocyclobutylidene)amino] acetate

[(Z)-(2-cyanocyclobutylidene)amino] acetate (PubChem CID 118511274) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is [(Z)-(2-cyanocyclobutylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(2-cyanocyclobutylidene)amino] acetate
PubChem CID118511274
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name[(Z)-(2-cyanocyclobutylidene)amino] acetate
SMILESCC(=O)O/N=C1/CCC1C#N
InChIInChI=1S/C7H8N2O2/c1-5(10)11-9-7-3-2-6(7)4-8/h6H,2-3H2,1H3/b9-7-
InChIKeyRBKCICQGHGDLBY-CLFYSBASSA-N
XLogP0.84
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.84
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)-4-cyanohexan-2-ylideneamino] acetate
CID 118511282
[(E)-4-cyanobutan-2-ylideneamino] acetate
CID 118511360
[(E)-1-cyanopropan-2-ylideneamino] acetate
CID 118511509
[(E)-3-cyanopentan-2-ylideneamino] acetate
CID 118511539
(4-Cyanohexan-2-ylideneamino) acetate
CID 140887425
(3-Cyanopentan-2-ylideneamino) acetate
CID 140887430
[(2-Cyanocyclobutylidene)amino] acetate
CID 140887442
(4-Cyanobutan-2-ylideneamino) acetate
CID 140887537
(1-Cyanopropan-2-ylideneamino) acetate
CID 140887674

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-cyanocyclobutylidene)amino] acetate?
The IUPAC name of [(Z)-(2-cyanocyclobutylidene)amino] acetate (CID 118511274) is [(Z)-(2-cyanocyclobutylidene)amino] acetate.
What is the SMILES notation for [(Z)-(2-cyanocyclobutylidene)amino] acetate?
The canonical SMILES for [(Z)-(2-cyanocyclobutylidene)amino] acetate is CC(=O)O/N=C1/CCC1C#N.
What is the InChIKey of [(Z)-(2-cyanocyclobutylidene)amino] acetate?
The InChIKey is RBKCICQGHGDLBY-CLFYSBASSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(10)11-9-7-3-2-6(7)4-8/h6H,2-3H2,1H3/b9-7-.
What are the key properties of [(Z)-(2-cyanocyclobutylidene)amino] acetate?
[(Z)-(2-cyanocyclobutylidene)amino] acetate has a molecular weight of 152.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-cyanocyclobutylidene)amino] acetate is sourced from PubChem (CID 118511274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).