(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate

C14H14N2O4 — CID 54688387

IUPAC(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate
SMILESC=CCO/C([O-])=C1/C=CC=C/C1=N\N=[C+]\C(=O)OCC
InChIInChI=1S/C14H14N2O4/c1-3-9-20-14(18)11-7-5-6-8-12(11)16-15-10-13(17)19-4-2/h3,5-8H,1,4,9H2,2H3
InChIKeyITLAWLDFRZZCPZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.75
Rot. Bonds6

About (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate

(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate (PubChem CID 54688387) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate.

Molecular Properties

Compound Name(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate
PubChem CID54688387
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate
SMILESC=CCO/C([O-])=C1/C=CC=C/C1=N\N=[C+]\C(=O)OCC
InChIInChI=1S/C14H14N2O4/c1-3-9-20-14(18)11-7-5-6-8-12(11)16-15-10-13(17)19-4-2/h3,5-8H,1,4,9H2,2H3
InChIKeyITLAWLDFRZZCPZ-UHFFFAOYSA-N
XLogP0.75
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate
CID 54692483
chloromethane;prop-2-enyl propanoate
CID 174815872
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
azane;prop-2-enyl propanoate
CID 87729437
propan-2-one;prop-2-enyl propanoate
CID 174904905
butan-2-one;prop-2-enyl acetate
CID 118347758
prop-2-enyl 2-methylidenebutanoate
CID 12684713
chloroethene;ethyl acetate
CID 19771492
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
ethene;ethyl (E)-4-ethenyl-3-oxohex-4-enoate
CID 171099104
chloroethene;ethyl carbamate;acetate
CID 22003390
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303

Frequently Asked Questions

What is the IUPAC name of (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate?
The IUPAC name of (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate (CID 54688387) is (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate.
What is the SMILES notation for (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate?
The canonical SMILES for (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate is C=CCO/C([O-])=C1/C=CC=C/C1=N\N=[C+]\C(=O)OCC.
What is the InChIKey of (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate?
The InChIKey is ITLAWLDFRZZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-9-20-14(18)11-7-5-6-8-12(11)16-15-10-13(17)19-4-2/h3,5-8H,1,4,9H2,2H3.
What are the key properties of (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate?
(Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate has a molecular weight of 274.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(6E)-6-[(2-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate is sourced from PubChem (CID 54688387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).