methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate

C13H16N2O4 — CID 91281190

IUPACmethyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate
SMILESC=CC(=O)OCCN(C)C=CC=C(C#N)C(=O)OC
InChIInChI=1S/C13H16N2O4/c1-4-12(16)19-9-8-15(2)7-5-6-11(10-14)13(17)18-3/h4-7H,1,8-9H2,2-3H3
InChIKeyFNXKYOLYYRJSMH-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.78
Rot. Bonds7

About methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate

methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate (PubChem CID 91281190) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate
PubChem CID91281190
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate
SMILESC=CC(=O)OCCN(C)C=CC=C(C#N)C(=O)OC
InChIInChI=1S/C13H16N2O4/c1-4-12(16)19-9-8-15(2)7-5-6-11(10-14)13(17)18-3/h4-7H,1,8-9H2,2-3H3
InChIKeyFNXKYOLYYRJSMH-UHFFFAOYSA-N
XLogP0.78
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate 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

2-[[(1E,3Z)-4-cyanopenta-1,3-dienyl]-methylamino]ethyl prop-2-enoate
CID 89168332
2-[4,4-bis(methylsulfonyl)buta-1,3-dienyl-methylamino]ethyl prop-2-enoate
CID 91508105
2-[acetyl-[(1E,3E)-4-cyano-5-oxopenta-1,3-dienyl]amino]ethyl prop-2-enoate
CID 89168313
ethyl (2E,5E)-2-cyano-6-[cyano(2-prop-2-enoyloxyethyl)amino]hexa-2,5-dienoate
CID 59815231
3-hydroxypropyl 2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 123780882
bis[2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-methylamino]ethyl] benzene-1,4-dicarboxylate
CID 89309917
methyl (Z)-3-amino-2-cyanoprop-2-enoate
CID 102484280
octyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 88900633
methyl 2-cyano-7-(dimethylamino)-5-methylhepta-2,4,6-trienoate
CID 76836197
dimethyl 2,8-dicyanonona-2,4,6-trienedioate
CID 71399502
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
CID 174984966
CID 174984966

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate?
The IUPAC name of methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate (CID 91281190) is methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate.
What is the SMILES notation for methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate?
The canonical SMILES for methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate is C=CC(=O)OCCN(C)C=CC=C(C#N)C(=O)OC.
What is the InChIKey of methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate?
The InChIKey is FNXKYOLYYRJSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-12(16)19-9-8-15(2)7-5-6-11(10-14)13(17)18-3/h4-7H,1,8-9H2,2-3H3.
What are the key properties of methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate?
methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate has a molecular weight of 264.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-5-[methyl(2-prop-2-enoyloxyethyl)amino]penta-2,4-dienoate is sourced from PubChem (CID 91281190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).