2-methyl-5-propoxy-3H-isoindol-1-one

C12H15NO2 — CID 143666235

IUPAC2-methyl-5-propoxy-3H-isoindol-1-one
SMILESCCCOc1ccc2c(c1)CN(C)C2=O
InChIInChI=1S/C12H15NO2/c1-3-6-15-10-4-5-11-9(7-10)8-13(2)12(11)14/h4-5,7H,3,6,8H2,1-2H3
InChIKeyYWCYASJRRAJMOV-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-5-propoxy-3H-isoindol-1-one

2-methyl-5-propoxy-3H-isoindol-1-one (PubChem CID 143666235) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methyl-5-propoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-propoxy-3H-isoindol-1-one
PubChem CID143666235
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-methyl-5-propoxy-3H-isoindol-1-one
SMILESCCCOc1ccc2c(c1)CN(C)C2=O
InChIInChI=1S/C12H15NO2/c1-3-6-15-10-4-5-11-9(7-10)8-13(2)12(11)14/h4-5,7H,3,6,8H2,1-2H3
InChIKeyYWCYASJRRAJMOV-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propoxy-3H-isoindol-1-one?
The IUPAC name of 2-methyl-5-propoxy-3H-isoindol-1-one (CID 143666235) is 2-methyl-5-propoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-5-propoxy-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-5-propoxy-3H-isoindol-1-one is CCCOc1ccc2c(c1)CN(C)C2=O.
What is the InChIKey of 2-methyl-5-propoxy-3H-isoindol-1-one?
The InChIKey is YWCYASJRRAJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-6-15-10-4-5-11-9(7-10)8-13(2)12(11)14/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 2-methyl-5-propoxy-3H-isoindol-1-one?
2-methyl-5-propoxy-3H-isoindol-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propoxy-3H-isoindol-1-one is sourced from PubChem (CID 143666235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).