1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one

C13H18N2O2 — CID 67943811

IUPAC1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one
SMILESCOc1ccc2c(c1)CC(=O)N2C(C)(C)CN
InChIInChI=1S/C13H18N2O2/c1-13(2,8-14)15-11-5-4-10(17-3)6-9(11)7-12(15)16/h4-6H,7-8,14H2,1-3H3
InChIKeyFSKONEZRCOVXMU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.32
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one

1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one (PubChem CID 67943811) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one
PubChem CID67943811
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one
SMILESCOc1ccc2c(c1)CC(=O)N2C(C)(C)CN
InChIInChI=1S/C13H18N2O2/c1-13(2,8-14)15-11-5-4-10(17-3)6-9(11)7-12(15)16/h4-6H,7-8,14H2,1-3H3
InChIKeyFSKONEZRCOVXMU-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one (CID 67943811) is 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one is COc1ccc2c(c1)CC(=O)N2C(C)(C)CN.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one?
The InChIKey is FSKONEZRCOVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,8-14)15-11-5-4-10(17-3)6-9(11)7-12(15)16/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one?
1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one is sourced from PubChem (CID 67943811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).