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

C12H10N2O4 — CID 2885104

IUPACN-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESNC(=O)C(=Cc1ccco1)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)
InChIKeyJDYABLFPAJJJBB-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.13
Rot. Bonds4

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

N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2885104) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID2885104
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC NameN-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESNC(=O)C(=Cc1ccco1)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)
InChIKeyJDYABLFPAJJJBB-UHFFFAOYSA-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'}

Analyze N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2252967
propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
CID 3812592
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide
CID 2294220
N-[(Z)-3-amino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5405356
N-[(E)-1-(furan-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 7349133
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-(furan-2-carbonylamino)prop-2-enoic acid
CID 4889065
(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
CID 7137594
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide
CID 946135

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 2885104) is N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is NC(=O)C(=Cc1ccco1)NC(=O)c1ccco1.
What is the InChIKey of N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is JDYABLFPAJJJBB-UHFFFAOYSA-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).
What are the key properties of N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[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-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2885104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).