3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one

C19H17NO4 — CID 12004352

IUPAC3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one
SMILESO=C1N(CC2CC2)c2ccccc2C1(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO4/c21-18-19(22,13-7-8-16-17(9-13)24-11-23-16)14-3-1-2-4-15(14)20(18)10-12-5-6-12/h1-4,7-9,12,22H,5-6,10-11H2
InChIKeyUHOQPPHPZMAIPU-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.41
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one

3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one (PubChem CID 12004352) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one
PubChem CID12004352
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one
SMILESO=C1N(CC2CC2)c2ccccc2C1(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO4/c21-18-19(22,13-7-8-16-17(9-13)24-11-23-16)14-3-1-2-4-15(14)20(18)10-12-5-6-12/h1-4,7-9,12,22H,5-6,10-11H2
InChIKeyUHOQPPHPZMAIPU-UHFFFAOYSA-N
XLogP2.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one (CID 12004352) is 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one is O=C1N(CC2CC2)c2ccccc2C1(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one?
The InChIKey is UHOQPPHPZMAIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18-19(22,13-7-8-16-17(9-13)24-11-23-16)14-3-1-2-4-15(14)20(18)10-12-5-6-12/h1-4,7-9,12,22H,5-6,10-11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one?
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one has a molecular weight of 323.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-3-hydroxyindol-2-one is sourced from PubChem (CID 12004352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).