N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C13H12N2O4 — CID 5408116

IUPACN-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C13H12N2O4/c1-14-12(16)10(8-9-4-2-6-18-9)15-13(17)11-5-3-7-19-11/h2-8H,1H3,(H,14,16)(H,15,17)/b10-8+
InChIKeyQFNSTOBXMPCGSI-CSKARUKUSA-N
MW260.25 g/mol
LogP1.39
Rot. Bonds4

About N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 5408116) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID5408116
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C13H12N2O4/c1-14-12(16)10(8-9-4-2-6-18-9)15-13(17)11-5-3-7-19-11/h2-8H,1H3,(H,14,16)(H,15,17)/b10-8+
InChIKeyQFNSTOBXMPCGSI-CSKARUKUSA-N
XLogP1.39
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 5408116) is N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is QFNSTOBXMPCGSI-CSKARUKUSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-14-12(16)10(8-9-4-2-6-18-9)15-13(17)11-5-3-7-19-11/h2-8H,1H3,(H,14,16)(H,15,17)/b10-8+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5408116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).