ethyl 2-(hydrazinecarbonyl)prop-2-enoate

C6H10N2O3 — CID 87480651

IUPACethyl 2-(hydrazinecarbonyl)prop-2-enoate
SMILESC=C(C(=O)NN)C(=O)OCC
InChIInChI=1S/C6H10N2O3/c1-3-11-6(10)4(2)5(9)8-7/h2-3,7H2,1H3,(H,8,9)
InChIKeyINAJXXWEOQSPCP-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.90
Rot. Bonds3

About ethyl 2-(hydrazinecarbonyl)prop-2-enoate

ethyl 2-(hydrazinecarbonyl)prop-2-enoate (PubChem CID 87480651) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is ethyl 2-(hydrazinecarbonyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(hydrazinecarbonyl)prop-2-enoate
PubChem CID87480651
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Nameethyl 2-(hydrazinecarbonyl)prop-2-enoate
SMILESC=C(C(=O)NN)C(=O)OCC
InChIInChI=1S/C6H10N2O3/c1-3-11-6(10)4(2)5(9)8-7/h2-3,7H2,1H3,(H,8,9)
InChIKeyINAJXXWEOQSPCP-UHFFFAOYSA-N
XLogP-0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
CID 19876462
ethyl 2-methylidene-3-(propan-2-ylcarbamoyl)but-3-enoate
CID 139878730
3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
CID 155375651
ethyl 2-methylprop-2-enoate
CID 130475774
ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate
CID 143114007
(2E)-4-ethoxycarbonyl-2,3-dimethylpenta-2,4-dienoic acid
CID 142694353
1-O-(dimethylamino) 3-O-ethyl 2-methylidenepropanedioate
CID 175060878
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydrazinecarbonyl)prop-2-enoate?
The IUPAC name of ethyl 2-(hydrazinecarbonyl)prop-2-enoate (CID 87480651) is ethyl 2-(hydrazinecarbonyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(hydrazinecarbonyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(hydrazinecarbonyl)prop-2-enoate is C=C(C(=O)NN)C(=O)OCC.
What is the InChIKey of ethyl 2-(hydrazinecarbonyl)prop-2-enoate?
The InChIKey is INAJXXWEOQSPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-11-6(10)4(2)5(9)8-7/h2-3,7H2,1H3,(H,8,9).
What are the key properties of ethyl 2-(hydrazinecarbonyl)prop-2-enoate?
ethyl 2-(hydrazinecarbonyl)prop-2-enoate has a molecular weight of 158.16 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydrazinecarbonyl)prop-2-enoate is sourced from PubChem (CID 87480651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).