[cyano(methoxy)methyl] 2-methylprop-2-enoate

C7H9NO3 — CID 139981516

IUPAC[cyano(methoxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C#N)OC
InChIInChI=1S/C7H9NO3/c1-5(2)7(9)11-6(4-8)10-3/h6H,1H2,2-3H3
InChIKeyVHXQLPLLHSBOKJ-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.60
Rot. Bonds3

About [cyano(methoxy)methyl] 2-methylprop-2-enoate

[cyano(methoxy)methyl] 2-methylprop-2-enoate (PubChem CID 139981516) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is [cyano(methoxy)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[cyano(methoxy)methyl] 2-methylprop-2-enoate
PubChem CID139981516
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name[cyano(methoxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C#N)OC
InChIInChI=1S/C7H9NO3/c1-5(2)7(9)11-6(4-8)10-3/h6H,1H2,2-3H3
InChIKeyVHXQLPLLHSBOKJ-UHFFFAOYSA-N
XLogP0.60
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [cyano(methoxy)methyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
1-cyanopropyl 2-methylprop-2-enoate
CID 22596498
propan-2-yl 2-methylprop-2-enoate
CID 146421311
cyanato(2-methylprop-2-enoyloxy)methanesulfonic acid
CID 172776703
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
(1-cyanato-2-methylbutyl) 2-methylprop-2-enoate
CID 151832638
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
1-thiocyanatobutyl 2-methylprop-2-enoate
CID 143220371
1-(1-methoxyethoxy)ethyl 2-cyanoprop-2-enoate
CID 170426406
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984

Frequently Asked Questions

What is the IUPAC name of [cyano(methoxy)methyl] 2-methylprop-2-enoate?
The IUPAC name of [cyano(methoxy)methyl] 2-methylprop-2-enoate (CID 139981516) is [cyano(methoxy)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [cyano(methoxy)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [cyano(methoxy)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C#N)OC.
What is the InChIKey of [cyano(methoxy)methyl] 2-methylprop-2-enoate?
The InChIKey is VHXQLPLLHSBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(2)7(9)11-6(4-8)10-3/h6H,1H2,2-3H3.
What are the key properties of [cyano(methoxy)methyl] 2-methylprop-2-enoate?
[cyano(methoxy)methyl] 2-methylprop-2-enoate has a molecular weight of 155.15 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(methoxy)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139981516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).