2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide

C11H13ClN2O — CID 169369130

IUPAC2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c(c1)CC(O)C2
InChIInChI=1S/C11H13ClN2O/c12-6-11(13)14-9-2-1-7-4-10(15)5-8(7)3-9/h1-3,10,15H,4-6H2,(H2,13,14)
InChIKeyQAYJAVQLYVCPRY-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.37
Rot. Bonds2

About 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide

2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide (PubChem CID 169369130) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide
PubChem CID169369130
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c(c1)CC(O)C2
InChIInChI=1S/C11H13ClN2O/c12-6-11(13)14-9-2-1-7-4-10(15)5-8(7)3-9/h1-3,10,15H,4-6H2,(H2,13,14)
InChIKeyQAYJAVQLYVCPRY-UHFFFAOYSA-N
XLogP1.37
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide (CID 169369130) is 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide is N/C(CCl)=N/c1ccc2c(c1)CC(O)C2.
What is the InChIKey of 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide?
The InChIKey is QAYJAVQLYVCPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-6-11(13)14-9-2-1-7-4-10(15)5-8(7)3-9/h1-3,10,15H,4-6H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide?
2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide has a molecular weight of 224.69 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide is sourced from PubChem (CID 169369130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).