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

C15H14N2O6 — CID 97032883

IUPAC[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate
SMILESCCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\OC(C)=O)o1
InChIInChI=1S/C15H14N2O6/c1-3-21-15-8-11(17(19)20)4-6-13(15)14-7-5-12(22-14)9-16-23-10(2)18/h4-9H,3H2,1-2H3/b16-9-
InChIKeyAYASBCJCOQHXRH-SXGWCWSVSA-N
MW318.29 g/mol
LogP3.15
Rot. Bonds6

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

[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate (PubChem CID 97032883) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate
PubChem CID97032883
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate
SMILESCCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\OC(C)=O)o1
InChIInChI=1S/C15H14N2O6/c1-3-21-15-8-11(17(19)20)4-6-13(15)14-7-5-12(22-14)9-16-23-10(2)18/h4-9H,3H2,1-2H3/b16-9-
InChIKeyAYASBCJCOQHXRH-SXGWCWSVSA-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-ethoxy-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674112
[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032878
[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674114
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole
CID 18465929
[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
CID 91674121
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
[(E)-[5-(4-bromo-2-methylphenyl)furan-2-yl]methylideneamino] acetate
CID 91674098
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
tert-butyl N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883311

Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate?
The IUPAC name of [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate (CID 97032883) is [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate.
What is the SMILES notation for [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate?
The canonical SMILES for [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate is CCOc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\OC(C)=O)o1.
What is the InChIKey of [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate?
The InChIKey is AYASBCJCOQHXRH-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-3-21-15-8-11(17(19)20)4-6-13(15)14-7-5-12(22-14)9-16-23-10(2)18/h4-9H,3H2,1-2H3/b16-9-.
What are the key properties of [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate?
[(Z)-[5-(2-ethoxy-4-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 [(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate is sourced from PubChem (CID 97032883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).