2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride

C9H12ClNO — CID 68754933

IUPAC2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride
SMILESCl.OCc1ccc2c(c1)CNC2
InChIInChI=1S/C9H11NO.ClH/c11-6-7-1-2-8-4-10-5-9(8)3-7;/h1-3,10-11H,4-6H2;1H
InChIKeyKPJXRPGLPFOXPC-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.20
Rot. Bonds1

About 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride

2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride (PubChem CID 68754933) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride
PubChem CID68754933
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride
SMILESCl.OCc1ccc2c(c1)CNC2
InChIInChI=1S/C9H11NO.ClH/c11-6-7-1-2-8-4-10-5-9(8)3-7;/h1-3,10-11H,4-6H2;1H
InChIKeyKPJXRPGLPFOXPC-UHFFFAOYSA-N
XLogP1.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride (CID 68754933) is 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride is Cl.OCc1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride?
The InChIKey is KPJXRPGLPFOXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c11-6-7-1-2-8-4-10-5-9(8)3-7;/h1-3,10-11H,4-6H2;1H.
What are the key properties of 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride?
2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-ylmethanol;hydrochloride is sourced from PubChem (CID 68754933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).