N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide

C10H12N2O2 — CID 154659700

IUPACN'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide
SMILESN/C(=N\O)c1cccc2c1CCOC2
InChIInChI=1S/C10H12N2O2/c11-10(12-13)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,13H,4-6H2,(H2,11,12)
InChIKeyNWOGHUBAVDJACR-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds1

About N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide

N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide (PubChem CID 154659700) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide
PubChem CID154659700
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide
SMILESN/C(=N\O)c1cccc2c1CCOC2
InChIInChI=1S/C10H12N2O2/c11-10(12-13)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,13H,4-6H2,(H2,11,12)
InChIKeyNWOGHUBAVDJACR-UHFFFAOYSA-N
XLogP0.85
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide?
The IUPAC name of N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide (CID 154659700) is N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide?
The canonical SMILES for N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide is N/C(=N\O)c1cccc2c1CCOC2.
What is the InChIKey of N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide?
The InChIKey is NWOGHUBAVDJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10(12-13)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,13H,4-6H2,(H2,11,12).
What are the key properties of N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide?
N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide has a molecular weight of 192.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,4-dihydro-1H-isochromene-5-carboximidamide is sourced from PubChem (CID 154659700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).