[4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

C16H14N2O5 — CID 6883314

IUPAC[4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCOC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C16H14N2O5/c1-21-16(20)18-17-11-12-4-6-14(7-5-12)23-15(19)9-8-13-3-2-10-22-13/h2-11H,1H3,(H,18,20)/b9-8+,17-11+
InChIKeyYDMFZDFVCOETNT-WRFVMNGSSA-N
MW314.30 g/mol
LogP2.59
Rot. Bonds5

About [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

[4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 6883314) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID6883314
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name[4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCOC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C16H14N2O5/c1-21-16(20)18-17-11-12-4-6-14(7-5-12)23-15(19)9-8-13-3-2-10-22-13/h2-11H,1H3,(H,18,20)/b9-8+,17-11+
InChIKeyYDMFZDFVCOETNT-WRFVMNGSSA-N
XLogP2.59
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N'-(2-Furylmethylene)-4-methoxybenzohydrazide
CID 7290584
Furan-2-carboxylic acid 2-methoxy-4-(methoxycarbonyl-hydrazonomethyl)-phenyl ester
CID 6882950
N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
CID 6888502
3-(4-butoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]propanamide
CID 6889021
[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6893468
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 6872689
p-Tolyloxy-acetic acid (3-furan-2-yl-allylidene)-hydrazide
CID 2246502
N'-(2-furylmethylene)-2-(4-methylphenoxy)acetohydrazide
CID 5722058
tert-butyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 5779112
ethyl (2Z)-2-[4-(2-furoyloxy)benzylidene]hydrazinecarboxylate
CID 6265173
N'-(Furan-2-ylmethylene)-2-(o-tolyloxy)acetohydrazide
CID 6869275
(2,4,6-Trimethyl-phenoxy)-acetic acid furan-2-ylmethylene-hydrazide
CID 9590008

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 6883314) is [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is COC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is YDMFZDFVCOETNT-WRFVMNGSSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-21-16(20)18-17-11-12-4-6-14(7-5-12)23-15(19)9-8-13-3-2-10-22-13/h2-11H,1H3,(H,18,20)/b9-8+,17-11+.
What are the key properties of [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate?
[4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 314.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 6883314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).