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

C12H10N2O4 — CID 775894

IUPACN-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H10N2O4/c13-11(15)9(7-8-3-1-5-17-8)14-12(16)10-4-2-6-18-10/h1-7H,(H2,13,15)(H,14,16)/b9-7+
InChIKeyJDYABLFPAJJJBB-VQHVLOKHSA-N
MW246.22 g/mol
LogP1.13
Rot. Bonds4

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

N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 775894) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID775894
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H10N2O4/c13-11(15)9(7-8-3-1-5-17-8)14-12(16)10-4-2-6-18-10/h1-7H,(H2,13,15)(H,14,16)/b9-7+
InChIKeyJDYABLFPAJJJBB-VQHVLOKHSA-N
XLogP1.13
TPSA98.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.13
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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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
N-Phenyl-2-furancarboxamide
CID 220406
N-(2-Furoyl)glycine methyl ester
CID 518748
methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
CID 51032934
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
N,N'-Difurfuryloxamide
CID 330826
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
1-(2-Furoyl)piperazine Hydrochloride
CID 12289910
Bis((furan-2-yl)methyl)amine
CID 557214
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 775894) is N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is JDYABLFPAJJJBB-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H10N2O4/c13-11(15)9(7-8-3-1-5-17-8)14-12(16)10-4-2-6-18-10/h1-7H,(H2,13,15)(H,14,16)/b9-7+.
What are the key properties of N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 775894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).