4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide

C10H12N2O3 — CID 2819228

IUPAC4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H12N2O3/c11-9(12-13)7-1-3-8(4-2-7)10-14-5-6-15-10/h1-4,10,13H,5-6H2,(H2,11,12)
InChIKeyALLSEOFWLPSQKK-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.83
Rot. Bonds2

About 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide

4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 2819228) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID2819228
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H12N2O3/c11-9(12-13)7-1-3-8(4-2-7)10-14-5-6-15-10/h1-4,10,13H,5-6H2,(H2,11,12)
InChIKeyALLSEOFWLPSQKK-UHFFFAOYSA-N
XLogP0.83
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.83
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'}

Analyze 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide 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

[4-(1,3-Dioxolan-2-yl)phenyl]methanamine
CID 10559254
4-(1,3-Dioxolan-2-yl)benzene-1-carbothioamide
CID 2778731
CID 5715446
CID 5715446
3-fluoro-N'-hydroxy-4-[hydroxy(methoxy)methyl]benzenecarboximidamide
CID 135245992
4-(1,3-dioxol-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 141765255
4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 175174657
(4-(1,3-Dioxolan-2-yl)phenyl)(hydroxyimino)methylamine
CID 9584179
4-(2-ethoxyethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24689532
3-fluoro-N'-hydroxy-4-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 24690264
3-fluoro-N'-hydroxy-4-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 24691313
3-fluoro-N'-hydroxy-4-(methoxymethyl)benzenecarboximidamide
CID 24692991
3-fluoro-N'-hydroxy-4-(phenylmethoxymethyl)benzenecarboximidamide
CID 24697134

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide (CID 2819228) is 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ALLSEOFWLPSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9(12-13)7-1-3-8(4-2-7)10-14-5-6-15-10/h1-4,10,13H,5-6H2,(H2,11,12).
What are the key properties of 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide?
4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 208.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2819228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).