ethyl 3,3-diformamido-2-methylprop-2-enoate

C8H12N2O4 — CID 87660528

IUPACethyl 3,3-diformamido-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(NC=O)NC=O
InChIInChI=1S/C8H12N2O4/c1-3-14-8(13)6(2)7(9-4-11)10-5-12/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyWIEYEPCJINTEMF-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.73
Rot. Bonds6

About ethyl 3,3-diformamido-2-methylprop-2-enoate

ethyl 3,3-diformamido-2-methylprop-2-enoate (PubChem CID 87660528) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 3,3-diformamido-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-diformamido-2-methylprop-2-enoate
PubChem CID87660528
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 3,3-diformamido-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(NC=O)NC=O
InChIInChI=1S/C8H12N2O4/c1-3-14-8(13)6(2)7(9-4-11)10-5-12/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyWIEYEPCJINTEMF-UHFFFAOYSA-N
XLogP-0.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-formamido-3-(methylamino)-2-sulfanylprop-2-enoate
CID 89489575
ethyl 3-formyl-2-methyl-4-oxobut-2-enoate
CID 175554584
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
ethyl (Z)-2,3-dimethyl-4-oxopent-2-enoate
CID 124678637
1-O-ethyl 4-O-methyl (Z)-3-hydroxy-2-methylbut-2-enedioate
CID 134922200
(E)-4-ethoxy-2,3-dimethyl-4-oxobut-2-enoic acid;hydrochloride
CID 88651089
diethyl 2-(3-methylbut-2-enylidene)propanedioate
CID 10987948
ethyl (2Z)-3-hydroxy-2-methylpenta-2,4-dienoate
CID 54721321
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl 2,3-dimethylbut-2-enoate;bis(prop-2-enoic acid)
CID 174830905
ethyl (E)-3-(ethylideneamino)-2-methylbut-2-enoate
CID 143807792

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-diformamido-2-methylprop-2-enoate?
The IUPAC name of ethyl 3,3-diformamido-2-methylprop-2-enoate (CID 87660528) is ethyl 3,3-diformamido-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-diformamido-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3,3-diformamido-2-methylprop-2-enoate is CCOC(=O)C(C)=C(NC=O)NC=O.
What is the InChIKey of ethyl 3,3-diformamido-2-methylprop-2-enoate?
The InChIKey is WIEYEPCJINTEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-14-8(13)6(2)7(9-4-11)10-5-12/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl 3,3-diformamido-2-methylprop-2-enoate?
ethyl 3,3-diformamido-2-methylprop-2-enoate has a molecular weight of 200.19 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-diformamido-2-methylprop-2-enoate is sourced from PubChem (CID 87660528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).