(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate

C15H16N2O4 — CID 54692483

IUPAC(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate
SMILESC=CCC(C)O/C([O-])=C1/C=CC=C/C1=N\N=[C+]\C(=O)OC
InChIInChI=1S/C15H16N2O4/c1-4-7-11(2)21-15(19)12-8-5-6-9-13(12)17-16-10-14(18)20-3/h4-6,8-9,11H,1,7H2,2-3H3
InChIKeyHRDYKYSFWAVIDV-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.14
Rot. Bonds6

About (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate

(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate (PubChem CID 54692483) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate.

Molecular Properties

Compound Name(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate
PubChem CID54692483
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate
SMILESC=CCC(C)O/C([O-])=C1/C=CC=C/C1=N\N=[C+]\C(=O)OC
InChIInChI=1S/C15H16N2O4/c1-4-7-11(2)21-15(19)12-8-5-6-9-13(12)17-16-10-14(18)20-3/h4-6,8-9,11H,1,7H2,2-3H3
InChIKeyHRDYKYSFWAVIDV-UHFFFAOYSA-N
XLogP1.14
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.14
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-ethoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-prop-2-enoxymethanolate
CID 54688387
pent-4-en-2-yl 3-chlorobutanoate
CID 527686
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
pent-4-en-2-yl 4-chloro-4-oxobutanoate
CID 91710630
pent-4-en-2-yl 3,3,3-trichloropropanoate
CID 102386308
pent-4-en-2-yl 2,2,2-triaminoacetate
CID 173458415
1-O-(4-chloro-3-methylphenyl) 4-O-pent-4-en-2-yl butanedioate
CID 91695184
1-O-(2-methylpropyl) 10-O-pent-4-en-2-yl decanedioate
CID 91729142
pent-4-en-2-yl 2,3,4,5,6-pentafluorobenzoate
CID 86142613
pent-4-en-2-yl 3-amino-3-phenylpropanoate
CID 118867225
[(2S)-pent-4-en-2-yl] (3R)-3-amino-3-phenylpropanoate
CID 86714915
methyl 4-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 58407547

Frequently Asked Questions

What is the IUPAC name of (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate?
The IUPAC name of (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate (CID 54692483) is (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate.
What is the SMILES notation for (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate?
The canonical SMILES for (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate is C=CCC(C)O/C([O-])=C1/C=CC=C/C1=N\N=[C+]\C(=O)OC.
What is the InChIKey of (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate?
The InChIKey is HRDYKYSFWAVIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-7-11(2)21-15(19)12-8-5-6-9-13(12)17-16-10-14(18)20-3/h4-6,8-9,11H,1,7H2,2-3H3.
What are the key properties of (Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate?
(Z)-[(6E)-6-[(2-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate has a molecular weight of 288.30 g/mol, XLogP of 1.14, 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-methoxy-2-oxoethylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]-pent-4-en-2-yloxymethanolate is sourced from PubChem (CID 54692483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).