3-propan-2-yloxy-1H-isoindole

C11H13NO — CID 14363759

IUPAC3-propan-2-yloxy-1H-isoindole
SMILESCC(C)OC1=NCc2ccccc21
InChIInChI=1S/C11H13NO/c1-8(2)13-11-10-6-4-3-5-9(10)7-12-11/h3-6,8H,7H2,1-2H3
InChIKeyBWVQZAQOXZCKLV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.37
Rot. Bonds1

About 3-propan-2-yloxy-1H-isoindole

3-propan-2-yloxy-1H-isoindole (PubChem CID 14363759) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-propan-2-yloxy-1H-isoindole.

Molecular Properties

Compound Name3-propan-2-yloxy-1H-isoindole
PubChem CID14363759
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-propan-2-yloxy-1H-isoindole
SMILESCC(C)OC1=NCc2ccccc21
InChIInChI=1S/C11H13NO/c1-8(2)13-11-10-6-4-3-5-9(10)7-12-11/h3-6,8H,7H2,1-2H3
InChIKeyBWVQZAQOXZCKLV-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1H-isoindole?
The IUPAC name of 3-propan-2-yloxy-1H-isoindole (CID 14363759) is 3-propan-2-yloxy-1H-isoindole.
What is the SMILES notation for 3-propan-2-yloxy-1H-isoindole?
The canonical SMILES for 3-propan-2-yloxy-1H-isoindole is CC(C)OC1=NCc2ccccc21.
What is the InChIKey of 3-propan-2-yloxy-1H-isoindole?
The InChIKey is BWVQZAQOXZCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)13-11-10-6-4-3-5-9(10)7-12-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-1H-isoindole?
3-propan-2-yloxy-1H-isoindole has a molecular weight of 175.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1H-isoindole is sourced from PubChem (CID 14363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).