2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide

C15H13N3O4 — CID 6893789

IUPAC2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-11-13(8-10-22-11)15(19)17-16-9-4-6-12-5-2-3-7-14(12)18(20)21/h2-10H,1H3,(H,17,19)/b6-4-,16-9+
InChIKeySFYMFDYYDBPCPJ-MWPQJANJSA-N
MW299.29 g/mol
LogP2.93
Rot. Bonds5

About 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide

2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide (PubChem CID 6893789) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide
PubChem CID6893789
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-11-13(8-10-22-11)15(19)17-16-9-4-6-12-5-2-3-7-14(12)18(20)21/h2-10H,1H3,(H,17,19)/b6-4-,16-9+
InChIKeySFYMFDYYDBPCPJ-MWPQJANJSA-N
XLogP2.93
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide (CID 6893789) is 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide?
The InChIKey is SFYMFDYYDBPCPJ-MWPQJANJSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-11-13(8-10-22-11)15(19)17-16-9-4-6-12-5-2-3-7-14(12)18(20)21/h2-10H,1H3,(H,17,19)/b6-4-,16-9+.
What are the key properties of 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide?
2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 6893789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).