2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide

C13H11N3O4 — CID 6878666

IUPAC2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c1-9-12(5-6-20-9)13(17)15-14-8-10-3-2-4-11(7-10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+
InChIKeyGFXCPZNKYRPLRY-RIYZIHGNSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide (PubChem CID 6878666) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
PubChem CID6878666
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c1-9-12(5-6-20-9)13(17)15-14-8-10-3-2-4-11(7-10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+
InChIKeyGFXCPZNKYRPLRY-RIYZIHGNSA-N
XLogP2.26
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
2-methyl-N-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-3-carboxamide
CID 6901099
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 5403994
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2-methyl-N-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carboxamide
CID 4214212
2-methyl-N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carboxamide
CID 6038632
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide (CID 6878666) is 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide?
The InChIKey is GFXCPZNKYRPLRY-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-9-12(5-6-20-9)13(17)15-14-8-10-3-2-4-11(7-10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+.
What are the key properties of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6878666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).