N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide

C8H11N3O3 — CID 76928863

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
SMILESCN(CC(N)=NO)C(=O)c1ccco1
InChIInChI=1S/C8H11N3O3/c1-11(5-7(9)10-13)8(12)6-3-2-4-14-6/h2-4,13H,5H2,1H3,(H2,9,10)
InChIKeyGJJXPJZHNUZJEO-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.10
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide (PubChem CID 76928863) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
PubChem CID76928863
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
SMILESCN(CC(N)=NO)C(=O)c1ccco1
InChIInChI=1S/C8H11N3O3/c1-11(5-7(9)10-13)8(12)6-3-2-4-14-6/h2-4,13H,5H2,1H3,(H2,9,10)
InChIKeyGJJXPJZHNUZJEO-UHFFFAOYSA-N
XLogP0.10
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
propyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 91700657
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55060862
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
CID 76929049
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide (CID 76928863) is N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide is CN(CC(N)=NO)C(=O)c1ccco1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide?
The InChIKey is GJJXPJZHNUZJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11(5-7(9)10-13)8(12)6-3-2-4-14-6/h2-4,13H,5H2,1H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 76928863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).