2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide

C11H14N2O — CID 14819369

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc2c(c1)CCC2)=N\O
InChIInChI=1S/C11H14N2O/c12-11(13-14)7-8-4-5-9-2-1-3-10(9)6-8/h4-6,14H,1-3,7H2,(H2,12,13)
InChIKeyMFVRFNLKOJMOQM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.46
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide

2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide (PubChem CID 14819369) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide
PubChem CID14819369
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc2c(c1)CCC2)=N\O
InChIInChI=1S/C11H14N2O/c12-11(13-14)7-8-4-5-9-2-1-3-10(9)6-8/h4-6,14H,1-3,7H2,(H2,12,13)
InChIKeyMFVRFNLKOJMOQM-UHFFFAOYSA-N
XLogP1.46
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide 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 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide (CID 14819369) is 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide is N/C(Cc1ccc2c(c1)CCC2)=N\O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide?
The InChIKey is MFVRFNLKOJMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11(13-14)7-8-4-5-9-2-1-3-10(9)6-8/h4-6,14H,1-3,7H2,(H2,12,13).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide?
2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide has a molecular weight of 190.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 14819369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).