3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one

C19H17NO4 — CID 2863500

IUPAC3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one
SMILESCOc1ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O
InChIInChI=1S/C19H17NO4/c1-20-16-6-4-3-5-14(16)19(23,18(20)22)15-10-11-9-12(24-2)7-8-13(11)17(15)21/h3-9,15,23H,10H2,1-2H3
InChIKeyWGUBVWMZKCUXNW-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.91
Rot. Bonds2

About 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one

3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one (PubChem CID 2863500) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one
PubChem CID2863500
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one
SMILESCOc1ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O
InChIInChI=1S/C19H17NO4/c1-20-16-6-4-3-5-14(16)19(23,18(20)22)15-10-11-9-12(24-2)7-8-13(11)17(15)21/h3-9,15,23H,10H2,1-2H3
InChIKeyWGUBVWMZKCUXNW-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one?
The IUPAC name of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one (CID 2863500) is 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one?
The canonical SMILES for 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one is COc1ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O.
What is the InChIKey of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one?
The InChIKey is WGUBVWMZKCUXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-20-16-6-4-3-5-14(16)19(23,18(20)22)15-10-11-9-12(24-2)7-8-13(11)17(15)21/h3-9,15,23H,10H2,1-2H3.
What are the key properties of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one?
3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one has a molecular weight of 323.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-methylindol-2-one is sourced from PubChem (CID 2863500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).