ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate

C7H10N4O2 — CID 71393065

IUPACethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate
SMILESCCOC(=O)C(C#N)=C/N=C/NN
InChIInChI=1S/C7H10N4O2/c1-2-13-7(12)6(3-8)4-10-5-11-9/h4-5H,2,9H2,1H3,(H,10,11)
InChIKeyIAXYCJQHDYKTSX-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.55
Rot. Bonds4

About ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate

ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate (PubChem CID 71393065) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate
PubChem CID71393065
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Nameethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate
SMILESCCOC(=O)C(C#N)=C/N=C/NN
InChIInChI=1S/C7H10N4O2/c1-2-13-7(12)6(3-8)4-10-5-11-9/h4-5H,2,9H2,1H3,(H,10,11)
InChIKeyIAXYCJQHDYKTSX-UHFFFAOYSA-N
XLogP-0.55
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-cyano-3-(dimethylaminomethylideneamino)prop-2-enoate
CID 5285263
diethyl 2-cyano-4-methylidenepent-2-enedioate
CID 123187028
ethyl (Z)-3-butylsulfanyl-2-cyanoprop-2-enoate
CID 88722486
ethyl 3-butylsulfanyl-2-cyanoprop-2-enoate
CID 71429427
ethyl (E)-2-cyano-3-nitroprop-2-enoate
CID 21234990
ethyl (E)-2-cyano-3-diethoxyphosphorylprop-2-enoate
CID 5383980
ethyl (Z)-2-cyano-3-hexadecylsulfanylprop-2-enoate
CID 58713892
ethyl (Z)-2-cyano-3-(1-methylcyclopropyl)prop-2-enoate
CID 68868890
ethyl (Z)-3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoate
CID 5357629
ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanatohepta-2,4-dienoate
CID 5373948
ethyl 2-cyano-3-(2,6-dimethylanilino)prop-2-enoate
CID 70458010
ethyl 2-cyano-3-(cyclohexylamino)prop-2-enoate
CID 75266542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate?
The IUPAC name of ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate (CID 71393065) is ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate.
What is the SMILES notation for ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate?
The canonical SMILES for ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate is CCOC(=O)C(C#N)=C/N=C/NN.
What is the InChIKey of ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate?
The InChIKey is IAXYCJQHDYKTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-2-13-7(12)6(3-8)4-10-5-11-9/h4-5H,2,9H2,1H3,(H,10,11).
What are the key properties of ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate?
ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate has a molecular weight of 182.18 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-(hydrazinylmethylideneamino)prop-2-enoate is sourced from PubChem (CID 71393065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).