[(Z)-4-oxopent-2-en-2-yl]cyanamide

C6H8N2O — CID 13320942

IUPAC[(Z)-4-oxopent-2-en-2-yl]cyanamide
SMILESCC(=O)/C=C(/C)NC#N
InChIInChI=1S/C6H8N2O/c1-5(8-4-7)3-6(2)9/h3,8H,1-2H3/b5-3-
InChIKeyXFPFUWSSLAHAIG-HYXAFXHYSA-N
MW124.14 g/mol
LogP0.55
Rot. Bonds2

About [(Z)-4-oxopent-2-en-2-yl]cyanamide

[(Z)-4-oxopent-2-en-2-yl]cyanamide (PubChem CID 13320942) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is [(Z)-4-oxopent-2-en-2-yl]cyanamide.

Molecular Properties

Compound Name[(Z)-4-oxopent-2-en-2-yl]cyanamide
PubChem CID13320942
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name[(Z)-4-oxopent-2-en-2-yl]cyanamide
SMILESCC(=O)/C=C(/C)NC#N
InChIInChI=1S/C6H8N2O/c1-5(8-4-7)3-6(2)9/h3,8H,1-2H3/b5-3-
InChIKeyXFPFUWSSLAHAIG-HYXAFXHYSA-N
XLogP0.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(hydroxyamino)pent-3-en-2-one
CID 87477057
(E)-2-methyl-4-oxopent-2-enenitrile
CID 143018586
[(Z)-4-oxopent-2-en-2-yl]urea
CID 13320940
bis(acetonitrile);bis(propan-2-one)
CID 163880321
N-cyano-3-ethoxybut-2-enamide
CID 54044619
(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
CID 7707922
acetic acid;pentakis(acetonitrile)
CID 173433569
tris(4-hydroxypent-3-en-2-one);thulium;hydrate
CID 146157253
copper;(Z)-4-hydroxypent-3-en-2-one;hydrate
CID 87530564
tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate
CID 22836474
acetonitrile;methyl acetate
CID 18363384
(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate
CID 164687665

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-oxopent-2-en-2-yl]cyanamide?
The IUPAC name of [(Z)-4-oxopent-2-en-2-yl]cyanamide (CID 13320942) is [(Z)-4-oxopent-2-en-2-yl]cyanamide.
What is the SMILES notation for [(Z)-4-oxopent-2-en-2-yl]cyanamide?
The canonical SMILES for [(Z)-4-oxopent-2-en-2-yl]cyanamide is CC(=O)/C=C(/C)NC#N.
What is the InChIKey of [(Z)-4-oxopent-2-en-2-yl]cyanamide?
The InChIKey is XFPFUWSSLAHAIG-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(8-4-7)3-6(2)9/h3,8H,1-2H3/b5-3-.
What are the key properties of [(Z)-4-oxopent-2-en-2-yl]cyanamide?
[(Z)-4-oxopent-2-en-2-yl]cyanamide has a molecular weight of 124.14 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-oxopent-2-en-2-yl]cyanamide is sourced from PubChem (CID 13320942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).