ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate

C7H10N2O2 — CID 173345586

IUPACethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=CN=C=N
InChIInChI=1S/C7H10N2O2/c1-3-11-7(10)6(2)4-9-5-8/h4,8H,3H2,1-2H3
InChIKeyUAMYOIRLZQNYEB-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.21
Rot. Bonds3

About ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate

ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate (PubChem CID 173345586) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate
PubChem CID173345586
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=CN=C=N
InChIInChI=1S/C7H10N2O2/c1-3-11-7(10)6(2)4-9-5-8/h4,8H,3H2,1-2H3
InChIKeyUAMYOIRLZQNYEB-UHFFFAOYSA-N
XLogP1.21
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
diethyl oxalate;ethyl acetate
CID 160900883
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
ethyl 2-methylprop-2-enoate;isocyanic acid;2-methylprop-2-enoic acid
CID 156565147
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylpent-2-enedioate
CID 592902
azane;ethyl 2,4,4-trimethylpent-2-enoate
CID 175378002

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate (CID 173345586) is ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate is CCOC(=O)C(C)=CN=C=N.
What is the InChIKey of ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate?
The InChIKey is UAMYOIRLZQNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-7(10)6(2)4-9-5-8/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate?
ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate has a molecular weight of 154.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(iminomethylideneamino)-2-methylprop-2-enoate is sourced from PubChem (CID 173345586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).