2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

C9H9N3O2 — CID 5334027

IUPAC2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC#N)c1ccco1
InChIInChI=1S/C9H9N3O2/c1-7(8-3-2-6-14-8)11-12-9(13)4-5-10/h2-3,6H,4H2,1H3,(H,12,13)/b11-7+
InChIKeyVXYSUMCYEJFUPP-YRNVUSSQSA-N
MW191.19 g/mol
LogP1.03
Rot. Bonds3

About 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (PubChem CID 5334027) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
PubChem CID5334027
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC#N)c1ccco1
InChIInChI=1S/C9H9N3O2/c1-7(8-3-2-6-14-8)11-12-9(13)4-5-10/h2-3,6H,4H2,1H3,(H,12,13)/b11-7+
InChIKeyVXYSUMCYEJFUPP-YRNVUSSQSA-N
XLogP1.03
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
2-cyano-N-[(E)-4-(furan-2-yl)butan-2-ylideneamino]acetamide
CID 6287184
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
CID 3424450
3-carbazol-9-yl-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742193

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (CID 5334027) is 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CC#N)c1ccco1.
What is the InChIKey of 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The InChIKey is VXYSUMCYEJFUPP-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-7(8-3-2-6-14-8)11-12-9(13)4-5-10/h2-3,6H,4H2,1H3,(H,12,13)/b11-7+.
What are the key properties of 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide has a molecular weight of 191.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 5334027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).