diethyl 2-hydrazinyl-3-methylidenebutanedioate

C9H16N2O4 — CID 88639814

IUPACdiethyl 2-hydrazinyl-3-methylidenebutanedioate
SMILESC=C(C(=O)OCC)C(NN)C(=O)OCC
InChIInChI=1S/C9H16N2O4/c1-4-14-8(12)6(3)7(11-10)9(13)15-5-2/h7,11H,3-5,10H2,1-2H3
InChIKeyRWBHCAQVLIFFNQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.50
Rot. Bonds6

About diethyl 2-hydrazinyl-3-methylidenebutanedioate

diethyl 2-hydrazinyl-3-methylidenebutanedioate (PubChem CID 88639814) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is diethyl 2-hydrazinyl-3-methylidenebutanedioate.

Molecular Properties

Compound Namediethyl 2-hydrazinyl-3-methylidenebutanedioate
PubChem CID88639814
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namediethyl 2-hydrazinyl-3-methylidenebutanedioate
SMILESC=C(C(=O)OCC)C(NN)C(=O)OCC
InChIInChI=1S/C9H16N2O4/c1-4-14-8(12)6(3)7(11-10)9(13)15-5-2/h7,11H,3-5,10H2,1-2H3
InChIKeyRWBHCAQVLIFFNQ-UHFFFAOYSA-N
XLogP-0.50
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-hydroxy-2-methylidenebutanoate
CID 11094746
ethyl 2-(diformamidomethyl)prop-2-enoate
CID 23020082
diethyl 2-acetyloxy-3-methylidenebutanedioate
CID 86097549
ethyl 2-(hydrazinecarbonyl)prop-2-enoate
CID 87480651
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-(hydroxyamino)-3-oxobutanoate
CID 57252315
ethyl 3-[4-(3-ethoxycarbonylbut-3-en-2-yloxy)butoxy]-2-methylidenebutanoate
CID 22894432
ethyl 3-ethenoxy-2-methylidenebutanoate
CID 139891834
ethyl 3-[3-(3-ethoxycarbonylbut-3-en-2-yloxy)propoxy]-2-methylidenebutanoate
CID 23524670
ethyl (2R)-2-(ethoxycarbonylamino)-3-oxobutanoate
CID 11096045
ethyl 2-butan-2-ylperoxycarbonylprop-2-enoate
CID 118588384

Frequently Asked Questions

What is the IUPAC name of diethyl 2-hydrazinyl-3-methylidenebutanedioate?
The IUPAC name of diethyl 2-hydrazinyl-3-methylidenebutanedioate (CID 88639814) is diethyl 2-hydrazinyl-3-methylidenebutanedioate.
What is the SMILES notation for diethyl 2-hydrazinyl-3-methylidenebutanedioate?
The canonical SMILES for diethyl 2-hydrazinyl-3-methylidenebutanedioate is C=C(C(=O)OCC)C(NN)C(=O)OCC.
What is the InChIKey of diethyl 2-hydrazinyl-3-methylidenebutanedioate?
The InChIKey is RWBHCAQVLIFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-14-8(12)6(3)7(11-10)9(13)15-5-2/h7,11H,3-5,10H2,1-2H3.
What are the key properties of diethyl 2-hydrazinyl-3-methylidenebutanedioate?
diethyl 2-hydrazinyl-3-methylidenebutanedioate has a molecular weight of 216.24 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-hydrazinyl-3-methylidenebutanedioate is sourced from PubChem (CID 88639814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).