2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol

C9H13NO — CID 123242980

IUPAC2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol
SMILESOCC1C=CC2=C(CNC2)C1
InChIInChI=1S/C9H13NO/c11-6-7-1-2-8-4-10-5-9(8)3-7/h1-2,7,10-11H,3-6H2
InChIKeyKEXJJFUHSBEHBT-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.45
Rot. Bonds1

About 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol

2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol (PubChem CID 123242980) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol
PubChem CID123242980
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol
SMILESOCC1C=CC2=C(CNC2)C1
InChIInChI=1S/C9H13NO/c11-6-7-1-2-8-4-10-5-9(8)3-7/h1-2,7,10-11H,3-6H2
InChIKeyKEXJJFUHSBEHBT-UHFFFAOYSA-N
XLogP0.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
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4-(hydroxymethyl)cyclopent-2-ene-1-carbonyl chloride
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4-(hydroxymethyl)cyclohexa-1,5-diene-1-carbaldehyde
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bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
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[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol
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[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol
CID 142169778
[1-amino-4-(2-tert-butylcyclopropyl)buta-1,3-dienyl]-[5-(ethylcarbamoyl)-2-(2,3,4,5-tetrahydro-1H-isoindol-5-ylamino)-1,2-dihydropyrimidin-6-yl]azanium
CID 163826467
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol?
The IUPAC name of 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol (CID 123242980) is 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol is OCC1C=CC2=C(CNC2)C1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol?
The InChIKey is KEXJJFUHSBEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-6-7-1-2-8-4-10-5-9(8)3-7/h1-2,7,10-11H,3-6H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol?
2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol has a molecular weight of 151.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol is sourced from PubChem (CID 123242980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).