1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole

C13H17NO — CID 84733977

IUPAC1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cccc2c1CNC2C1CCC1
InChIInChI=1S/C13H17NO/c1-15-12-7-3-6-10-11(12)8-14-13(10)9-4-2-5-9/h3,6-7,9,13-14H,2,4-5,8H2,1H3
InChIKeyFMJPWKRXZCBIKO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.64
Rot. Bonds2

About 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole

1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole (PubChem CID 84733977) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
PubChem CID84733977
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cccc2c1CNC2C1CCC1
InChIInChI=1S/C13H17NO/c1-15-12-7-3-6-10-11(12)8-14-13(10)9-4-2-5-9/h3,6-7,9,13-14H,2,4-5,8H2,1H3
InChIKeyFMJPWKRXZCBIKO-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole (CID 84733977) is 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole is COc1cccc2c1CNC2C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole?
The InChIKey is FMJPWKRXZCBIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-12-7-3-6-10-11(12)8-14-13(10)9-4-2-5-9/h3,6-7,9,13-14H,2,4-5,8H2,1H3.
What are the key properties of 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole?
1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole has a molecular weight of 203.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methoxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84733977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).