2-(cyanomethoxy)prop-2-enenitrile

C5H4N2O — CID 87756051

IUPAC2-(cyanomethoxy)prop-2-enenitrile
SMILESC=C(C#N)OCC#N
InChIInChI=1S/C5H4N2O/c1-5(4-7)8-3-2-6/h1,3H2
InChIKeyLFXDYEAZWNSQCV-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.56
Rot. Bonds2

About 2-(cyanomethoxy)prop-2-enenitrile

2-(cyanomethoxy)prop-2-enenitrile (PubChem CID 87756051) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is 2-(cyanomethoxy)prop-2-enenitrile.

Molecular Properties

Compound Name2-(cyanomethoxy)prop-2-enenitrile
PubChem CID87756051
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name2-(cyanomethoxy)prop-2-enenitrile
SMILESC=C(C#N)OCC#N
InChIInChI=1S/C5H4N2O/c1-5(4-7)8-3-2-6/h1,3H2
InChIKeyLFXDYEAZWNSQCV-UHFFFAOYSA-N
XLogP0.56
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-trifluoroethoxy)prop-2-enenitrile
CID 141425315
cyanomethyl hydrogen carbonate
CID 18508970
2-phenylmethoxyprop-2-enenitrile
CID 23172777
cyanomethyl isocyanomethyl carbonate
CID 123800148
3-(cyanomethoxy)-3-oxopropanoic acid
CID 87479767
2-(methoxymethyl)prop-2-enenitrile
CID 13279677
cyanomethyl 2-prop-2-enoxyacetate
CID 91618380
bis(cyanomethyl) 2-propan-2-ylpropanedioate
CID 130220065
cyanomethyl 2-cyanopropanoate
CID 162130339
cyanomethyl 2-methylsulfanylacetate
CID 13155092
(3S)-3-amino-4-(cyanomethoxy)-4-oxobutanoic acid
CID 54509092
4-O-(cyanomethyl) 1-O-methyl (Z)-but-2-enedioate
CID 101039707

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethoxy)prop-2-enenitrile?
The IUPAC name of 2-(cyanomethoxy)prop-2-enenitrile (CID 87756051) is 2-(cyanomethoxy)prop-2-enenitrile.
What is the SMILES notation for 2-(cyanomethoxy)prop-2-enenitrile?
The canonical SMILES for 2-(cyanomethoxy)prop-2-enenitrile is C=C(C#N)OCC#N.
What is the InChIKey of 2-(cyanomethoxy)prop-2-enenitrile?
The InChIKey is LFXDYEAZWNSQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c1-5(4-7)8-3-2-6/h1,3H2.
What are the key properties of 2-(cyanomethoxy)prop-2-enenitrile?
2-(cyanomethoxy)prop-2-enenitrile has a molecular weight of 108.10 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethoxy)prop-2-enenitrile is sourced from PubChem (CID 87756051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).