3-methoxy-2-propyl-3H-isoindol-1-one

C12H15NO2 — CID 4651926

IUPAC3-methoxy-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1OC
InChIInChI=1S/C12H15NO2/c1-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15-2/h4-7,12H,3,8H2,1-2H3
InChIKeyJJVHSJSOZWDQMJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.20
Rot. Bonds3

About 3-methoxy-2-propyl-3H-isoindol-1-one

3-methoxy-2-propyl-3H-isoindol-1-one (PubChem CID 4651926) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methoxy-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-methoxy-2-propyl-3H-isoindol-1-one
PubChem CID4651926
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-methoxy-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1OC
InChIInChI=1S/C12H15NO2/c1-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15-2/h4-7,12H,3,8H2,1-2H3
InChIKeyJJVHSJSOZWDQMJ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propyl-3H-isoindol-1-one?
The IUPAC name of 3-methoxy-2-propyl-3H-isoindol-1-one (CID 4651926) is 3-methoxy-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for 3-methoxy-2-propyl-3H-isoindol-1-one?
The canonical SMILES for 3-methoxy-2-propyl-3H-isoindol-1-one is CCCN1C(=O)c2ccccc2C1OC.
What is the InChIKey of 3-methoxy-2-propyl-3H-isoindol-1-one?
The InChIKey is JJVHSJSOZWDQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15-2/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 3-methoxy-2-propyl-3H-isoindol-1-one?
3-methoxy-2-propyl-3H-isoindol-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 4651926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).