methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate

C7H12N2O4 — CID 121226690

IUPACmethyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
SMILESCCOC(=O)N/N=C(\C)C(=O)OC
InChIInChI=1S/C7H12N2O4/c1-4-13-7(11)9-8-5(2)6(10)12-3/h4H2,1-3H3,(H,9,11)/b8-5+
InChIKeyVARPYWYUMLJXPX-VMPITWQZSA-N
MW188.18 g/mol
LogP0.28
Rot. Bonds3

About methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate

methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate (PubChem CID 121226690) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate.

Molecular Properties

Compound Namemethyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
PubChem CID121226690
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Namemethyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
SMILESCCOC(=O)N/N=C(\C)C(=O)OC
InChIInChI=1S/C7H12N2O4/c1-4-13-7(11)9-8-5(2)6(10)12-3/h4H2,1-3H3,(H,9,11)/b8-5+
InChIKeyVARPYWYUMLJXPX-VMPITWQZSA-N
XLogP0.28
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(dimethoxymethylideneamino)carbamate
CID 151130925
methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate
CID 5371688
ethyl N-[(E)-[(2E)-2-methoxyiminopentan-3-ylidene]amino]carbamate
CID 15757920
ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
CID 566543
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
CID 87585640
ethyl N-nitrosocarbamate
CID 19911416
ethyl (3E)-3-(carbamoylhydrazinylidene)-2-oxobutanoate
CID 10845739
ethyl 2-[N-(methoxycarbonylamino)-C-methylcarbonimidoyl]pentanoate
CID 3255004
methyl 3-(ethoxycarbonylamino)-2-methylbut-2-enoate
CID 173031659
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate?
The IUPAC name of methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate (CID 121226690) is methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate.
What is the SMILES notation for methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate?
The canonical SMILES for methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate is CCOC(=O)N/N=C(\C)C(=O)OC.
What is the InChIKey of methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate?
The InChIKey is VARPYWYUMLJXPX-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4-13-7(11)9-8-5(2)6(10)12-3/h4H2,1-3H3,(H,9,11)/b8-5+.
What are the key properties of methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate?
methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate has a molecular weight of 188.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate is sourced from PubChem (CID 121226690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).