2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide

C15H14N2O2 — CID 6878947

IUPAC2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-12-14(9-11-19-12)15(18)17-16-10-5-8-13-6-3-2-4-7-13/h2-11H,1H3,(H,17,18)/b8-5+,16-10+
InChIKeyYKQRPDWGZFHRFB-SDKHNTRVSA-N
MW254.29 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide

2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide (PubChem CID 6878947) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide
PubChem CID6878947
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-12-14(9-11-19-12)15(18)17-16-10-5-8-13-6-3-2-4-7-13/h2-11H,1H3,(H,17,18)/b8-5+,16-10+
InChIKeyYKQRPDWGZFHRFB-SDKHNTRVSA-N
XLogP3.02
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide (CID 6878947) is 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
The InChIKey is YKQRPDWGZFHRFB-SDKHNTRVSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-12-14(9-11-19-12)15(18)17-16-10-5-8-13-6-3-2-4-7-13/h2-11H,1H3,(H,17,18)/b8-5+,16-10+.
What are the key properties of 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide?
2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 6878947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).