N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide

C10H13N3O3 — CID 5335357

IUPACN'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C/c1ccco1
InChIInChI=1S/C10H13N3O3/c1-7(2)12-9(14)10(15)13-11-6-8-4-3-5-16-8/h3-7H,1-2H3,(H,12,14)(H,13,15)/b11-6+
InChIKeyWSDAVWULDCDPCK-IZZDOVSWSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds3

About N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide

N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide (PubChem CID 5335357) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide
PubChem CID5335357
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C/c1ccco1
InChIInChI=1S/C10H13N3O3/c1-7(2)12-9(14)10(15)13-11-6-8-4-3-5-16-8/h3-7H,1-2H3,(H,12,14)(H,13,15)/b11-6+
InChIKeyWSDAVWULDCDPCK-IZZDOVSWSA-N
XLogP0.25
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide (CID 5335357) is N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C/c1ccco1.
What is the InChIKey of N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide?
The InChIKey is WSDAVWULDCDPCK-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(2)12-9(14)10(15)13-11-6-8-4-3-5-16-8/h3-7H,1-2H3,(H,12,14)(H,13,15)/b11-6+.
What are the key properties of N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide?
N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide has a molecular weight of 223.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 5335357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).