N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride

C9H8ClNO2 — CID 112756407

IUPACN-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride
SMILESON=C(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H8ClNO2/c10-9(11-12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5,12H,3-4H2
InChIKeyYFKNLMTWFZGCEK-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.00
Rot. Bonds1

About N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride

N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride (PubChem CID 112756407) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride
PubChem CID112756407
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC NameN-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride
SMILESON=C(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H8ClNO2/c10-9(11-12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5,12H,3-4H2
InChIKeyYFKNLMTWFZGCEK-UHFFFAOYSA-N
XLogP2.00
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-hydroxy-1-oxo-3H-2-benzofuran-5-carboximidoyl chloride
CID 150379890
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 77039359
2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
CID 82648102

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride?
The IUPAC name of N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride (CID 112756407) is N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride.
What is the SMILES notation for N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride?
The canonical SMILES for N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride is ON=C(Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride?
The InChIKey is YFKNLMTWFZGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-9(11-12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5,12H,3-4H2.
What are the key properties of N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride?
N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride has a molecular weight of 197.62 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride is sourced from PubChem (CID 112756407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).