5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

C15H18N2O3 — CID 79172063

IUPAC5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CC1CN(C)CCO1
InChIInChI=1S/C15H18N2O3/c1-10-3-4-13-12(7-10)14(18)15(19)17(13)9-11-8-16(2)5-6-20-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyLOQFCDJDNUDKNG-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.85
Rot. Bonds2

About 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79172063) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79172063
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CC1CN(C)CCO1
InChIInChI=1S/C15H18N2O3/c1-10-3-4-13-12(7-10)14(18)15(19)17(13)9-11-8-16(2)5-6-20-11/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyLOQFCDJDNUDKNG-UHFFFAOYSA-N
XLogP0.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione
CID 40961478
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79171085
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175334
7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79174305
5-[(5-methyl-2,3-dioxoindol-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300629
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
5-methyl-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
CID 79568978
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
5-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]indole-2,3-dione
CID 18281973
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79172063) is 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2CC1CN(C)CCO1.
What is the InChIKey of 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is LOQFCDJDNUDKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-3-4-13-12(7-10)14(18)15(19)17(13)9-11-8-16(2)5-6-20-11/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79172063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).