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

C12H11N3O4 — CID 775897

IUPACN-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESNNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H11N3O4/c13-15-11(16)9(7-8-3-1-5-18-8)14-12(17)10-4-2-6-19-10/h1-7H,13H2,(H,14,17)(H,15,16)/b9-7+
InChIKeyJUFMLDFOQQKJCV-VQHVLOKHSA-N
MW261.24 g/mol
LogP0.63
Rot. Bonds4

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

N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 775897) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID775897
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESNNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C12H11N3O4/c13-15-11(16)9(7-8-3-1-5-18-8)14-12(17)10-4-2-6-19-10/h1-7H,13H2,(H,14,17)(H,15,16)/b9-7+
InChIKeyJUFMLDFOQQKJCV-VQHVLOKHSA-N
XLogP0.63
TPSA110.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 775897) is N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide is NNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is JUFMLDFOQQKJCV-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H11N3O4/c13-15-11(16)9(7-8-3-1-5-18-8)14-12(17)10-4-2-6-19-10/h1-7H,13H2,(H,14,17)(H,15,16)/b9-7+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 775897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).