[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate

C13H13NO — CID 144507907

IUPAC[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate
SMILESC/C=C\c1ccccc1/C(=C\C)OC#N
InChIInChI=1S/C13H13NO/c1-3-7-11-8-5-6-9-12(11)13(4-2)15-10-14/h3-9H,1-2H3/b7-3-,13-4+
InChIKeyQQLGPWIDNFFEGY-UWNVVLRYSA-N
MW199.25 g/mol
LogP3.58
Rot. Bonds3

About [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate

[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate (PubChem CID 144507907) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate.

Molecular Properties

Compound Name[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate
PubChem CID144507907
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate
SMILESC/C=C\c1ccccc1/C(=C\C)OC#N
InChIInChI=1S/C13H13NO/c1-3-7-11-8-5-6-9-12(11)13(4-2)15-10-14/h3-9H,1-2H3/b7-3-,13-4+
InChIKeyQQLGPWIDNFFEGY-UWNVVLRYSA-N
XLogP3.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 154988579
1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
CID 164913701
1-but-1-en-2-yl-2-prop-1-enylbenzene
CID 123904805
2-[3-(2-fluorophenyl)prop-2-enylidene]propanedinitrile
CID 57349829
2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
(E)-3-ethoxy-1-hydroxy-3-oxo-1-[2-[(E)-prop-1-enyl]phenyl]prop-1-ene-2-diazonium
CID 54708516
bis(2-prop-1-enylphenyl) sulfate
CID 54305499
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
1-iodo-2-prop-1-enylbenzene
CID 54281188
N-(2-prop-1-enylphenyl)hydroxylamine
CID 57180456
(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 15033296

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate?
The IUPAC name of [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate (CID 144507907) is [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate.
What is the SMILES notation for [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate?
The canonical SMILES for [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate is C/C=C\c1ccccc1/C(=C\C)OC#N.
What is the InChIKey of [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate?
The InChIKey is QQLGPWIDNFFEGY-UWNVVLRYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-7-11-8-5-6-9-12(11)13(4-2)15-10-14/h3-9H,1-2H3/b7-3-,13-4+.
What are the key properties of [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate?
[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate has a molecular weight of 199.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate is sourced from PubChem (CID 144507907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).