[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate

C15H14N2O6 — CID 91674112

IUPAC[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
SMILESCCOc1ccc(-c2ccc(/C=N/OC(C)=O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O6/c1-3-21-11-4-6-13(14(8-11)17(19)20)15-7-5-12(22-15)9-16-23-10(2)18/h4-9H,3H2,1-2H3/b16-9+
InChIKeyYBHOBZVDPCJYMP-CXUHLZMHSA-N
MW318.29 g/mol
LogP3.15
Rot. Bonds6

About [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate

[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate (PubChem CID 91674112) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
PubChem CID91674112
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
SMILESCCOc1ccc(-c2ccc(/C=N/OC(C)=O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O6/c1-3-21-11-4-6-13(14(8-11)17(19)20)15-7-5-12(22-15)9-16-23-10(2)18/h4-9H,3H2,1-2H3/b16-9+
InChIKeyYBHOBZVDPCJYMP-CXUHLZMHSA-N
XLogP3.15
TPSA104.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674114
[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032883
5-(4-ethoxy-2-nitrophenyl)furan-2-carboxylic acid
CID 56736978
5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
CID 169332012
[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
CID 91674121
[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032878
N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 3674969
(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
[(E)-[5-(4-bromo-2-methylphenyl)furan-2-yl]methylideneamino] acetate
CID 91674098
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate?
The IUPAC name of [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate (CID 91674112) is [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate.
What is the SMILES notation for [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate?
The canonical SMILES for [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate is CCOc1ccc(-c2ccc(/C=N/OC(C)=O)o2)c([N+](=O)[O-])c1.
What is the InChIKey of [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate?
The InChIKey is YBHOBZVDPCJYMP-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-3-21-11-4-6-13(14(8-11)17(19)20)15-7-5-12(22-15)9-16-23-10(2)18/h4-9H,3H2,1-2H3/b16-9+.
What are the key properties of [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate?
[(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate has a molecular weight of 318.29 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate is sourced from PubChem (CID 91674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).