1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol

C13H17NO — CID 84733976

IUPAC1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
SMILESOc1cccc2c1CNC2C1CCCC1
InChIInChI=1S/C13H17NO/c15-12-7-3-6-10-11(12)8-14-13(10)9-4-1-2-5-9/h3,6-7,9,13-15H,1-2,4-5,8H2
InChIKeyVSVPOMLZATUGGD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.73
Rot. Bonds1

About 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol

1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol (PubChem CID 84733976) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol.

Molecular Properties

Compound Name1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
PubChem CID84733976
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
SMILESOc1cccc2c1CNC2C1CCCC1
InChIInChI=1S/C13H17NO/c15-12-7-3-6-10-11(12)8-14-13(10)9-4-1-2-5-9/h3,6-7,9,13-15H,1-2,4-5,8H2
InChIKeyVSVPOMLZATUGGD-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
CID 84733977
1-phenyl-2,3-dihydro-1H-isoindol-4-ol
CID 84734564
3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol
CID 84736259
1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
CID 84735897
1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
CID 84733856
1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride
CID 175869105
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493
2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735697
1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
CID 84736095
5-cyclopentyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 83705398
1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 83352811
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol?
The IUPAC name of 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol (CID 84733976) is 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol.
What is the SMILES notation for 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol?
The canonical SMILES for 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol is Oc1cccc2c1CNC2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol?
The InChIKey is VSVPOMLZATUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-7-3-6-10-11(12)8-14-13(10)9-4-1-2-5-9/h3,6-7,9,13-15H,1-2,4-5,8H2.
What are the key properties of 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol?
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol has a molecular weight of 203.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol is sourced from PubChem (CID 84733976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).