3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol

C15H21NO — CID 84736259

IUPAC3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol
SMILESOc1ccc2c(c1)C(C1CCCCCC1)NC2
InChIInChI=1S/C15H21NO/c17-13-8-7-12-10-16-15(14(12)9-13)11-5-3-1-2-4-6-11/h7-9,11,15-17H,1-6,10H2
InChIKeyDYIMBJMMCZQSEQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds1

About 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol

3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol (PubChem CID 84736259) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol.

Molecular Properties

Compound Name3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol
PubChem CID84736259
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol
SMILESOc1ccc2c(c1)C(C1CCCCCC1)NC2
InChIInChI=1S/C15H21NO/c17-13-8-7-12-10-16-15(14(12)9-13)11-5-3-1-2-4-6-11/h7-9,11,15-17H,1-6,10H2
InChIKeyDYIMBJMMCZQSEQ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol?
The IUPAC name of 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol (CID 84736259) is 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol.
What is the SMILES notation for 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol?
The canonical SMILES for 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol is Oc1ccc2c(c1)C(C1CCCCCC1)NC2.
What is the InChIKey of 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol?
The InChIKey is DYIMBJMMCZQSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-13-8-7-12-10-16-15(14(12)9-13)11-5-3-1-2-4-6-11/h7-9,11,15-17H,1-6,10H2.
What are the key properties of 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol?
3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol has a molecular weight of 231.34 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol is sourced from PubChem (CID 84736259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).