methyl 2-(diethylamino)prop-2-enoate

C8H15NO2 — CID 14744312

IUPACmethyl 2-(diethylamino)prop-2-enoate
SMILESC=C(C(=O)OC)N(CC)CC
InChIInChI=1S/C8H15NO2/c1-5-9(6-2)7(3)8(10)11-4/h3,5-6H2,1-2,4H3
InChIKeySGVUHWDNVOQJLF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-(diethylamino)prop-2-enoate

methyl 2-(diethylamino)prop-2-enoate (PubChem CID 14744312) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-(diethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)prop-2-enoate
PubChem CID14744312
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-(diethylamino)prop-2-enoate
SMILESC=C(C(=O)OC)N(CC)CC
InChIInChI=1S/C8H15NO2/c1-5-9(6-2)7(3)8(10)11-4/h3,5-6H2,1-2,4H3
InChIKeySGVUHWDNVOQJLF-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(diethylamino)prop-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

methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
CID 112616658
[(3-methoxy-3-oxoprop-1-en-2-yl)-methylamino]azanide
CID 163729429
hydron;methyl 2-methylidenebutanoate
CID 174760127
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
CID 101441426
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
2-(diethylamino)prop-2-enoyl (E)-2-methylpentadec-2-eneperoxoate
CID 139653460
dimethyl oxalate
CID 11120
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
methyl 2-ethylsulfanylprop-2-enoate
CID 14912192
(E)-5-(diethylamino)-3-methoxycarbonyl-2-methyl-5-oxopent-2-enoic acid
CID 90117475
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)prop-2-enoate?
The IUPAC name of methyl 2-(diethylamino)prop-2-enoate (CID 14744312) is methyl 2-(diethylamino)prop-2-enoate.
What is the SMILES notation for methyl 2-(diethylamino)prop-2-enoate?
The canonical SMILES for methyl 2-(diethylamino)prop-2-enoate is C=C(C(=O)OC)N(CC)CC.
What is the InChIKey of methyl 2-(diethylamino)prop-2-enoate?
The InChIKey is SGVUHWDNVOQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-9(6-2)7(3)8(10)11-4/h3,5-6H2,1-2,4H3.
What are the key properties of methyl 2-(diethylamino)prop-2-enoate?
methyl 2-(diethylamino)prop-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)prop-2-enoate is sourced from PubChem (CID 14744312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).