N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide

C9H13N3O3 — CID 104979012

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C(N)=NO)co1
InChIInChI=1S/C9H13N3O3/c1-5-3-7(4-15-5)9(13)11-6(2)8(10)12-14/h3-4,6,14H,1-2H3,(H2,10,12)(H,11,13)
InChIKeyWBPFRZRMKKCJFI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.45
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide (PubChem CID 104979012) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
PubChem CID104979012
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C(N)=NO)co1
InChIInChI=1S/C9H13N3O3/c1-5-3-7(4-15-5)9(13)11-6(2)8(10)12-14/h3-4,6,14H,1-2H3,(H2,10,12)(H,11,13)
InChIKeyWBPFRZRMKKCJFI-UHFFFAOYSA-N
XLogP0.45
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
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

5-methyl-N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 114820799
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
CID 114820763
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
CID 114022873
(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
CID 114823351
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79997188
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 77059386

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide (CID 104979012) is N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)C(N)=NO)co1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide?
The InChIKey is WBPFRZRMKKCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-3-7(4-15-5)9(13)11-6(2)8(10)12-14/h3-4,6,14H,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 104979012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).