ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate

C9H14N2O2 — CID 143114007

IUPACethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate
SMILESC=C(/C=C\C(=C)C(=O)OCC)NN
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)7(2)5-6-8(3)11-10/h5-6,11H,2-4,10H2,1H3/b6-5-
InChIKeyBVQYCWIETBOUBU-WAYWQWQTSA-N
MW182.22 g/mol
LogP0.64
Rot. Bonds5

About ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate

ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate (PubChem CID 143114007) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate.

Molecular Properties

Compound Nameethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate
PubChem CID143114007
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate
SMILESC=C(/C=C\C(=C)C(=O)OCC)NN
InChIInChI=1S/C9H14N2O2/c1-4-13-9(12)7(2)5-6-8(3)11-10/h5-6,11H,2-4,10H2,1H3/b6-5-
InChIKeyBVQYCWIETBOUBU-WAYWQWQTSA-N
XLogP0.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-O-ethyl 1-O-methyl 4-methylidenepent-2-enedioate
CID 173366689
ethyl (3Z,5E)-5-amino-2-methylidenehepta-3,5-dienoate
CID 89180128
ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
ethyl (Z,5E)-5-hydroxyimino-2-methylidenepent-3-enoate
CID 146407574
ethyl 2-(hydrazinecarbonyl)prop-2-enoate
CID 87480651
1-O-methyl 6-O-propyl (Z)-2,5-dimethylidenehex-3-enedioate
CID 140963717
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
4-(2-methylbutoxycarbonyl)penta-2,4-dienoic acid
CID 87339303
acetylene;ethyl (Z)-4-[ethyl(methyl)amino]-2-methylidenepent-3-enoate
CID 143740960
diethyl 2-cyano-4-methylidenepent-2-enedioate
CID 123187028
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate?
The IUPAC name of ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate (CID 143114007) is ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate.
What is the SMILES notation for ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate?
The canonical SMILES for ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate is C=C(/C=C\C(=C)C(=O)OCC)NN.
What is the InChIKey of ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate?
The InChIKey is BVQYCWIETBOUBU-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-9(12)7(2)5-6-8(3)11-10/h5-6,11H,2-4,10H2,1H3/b6-5-.
What are the key properties of ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate?
ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate has a molecular weight of 182.22 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate is sourced from PubChem (CID 143114007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).