1-benzyl-6-methoxy-3,3-dimethylindol-2-one

C18H19NO2 — CID 1201570

IUPAC1-benzyl-6-methoxy-3,3-dimethylindol-2-one
SMILESCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)C2(C)C
InChIInChI=1S/C18H19NO2/c1-18(2)15-10-9-14(21-3)11-16(15)19(17(18)20)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeySBDSUDJARZRSBB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.52
Rot. Bonds3

About 1-benzyl-6-methoxy-3,3-dimethylindol-2-one

1-benzyl-6-methoxy-3,3-dimethylindol-2-one (PubChem CID 1201570) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-benzyl-6-methoxy-3,3-dimethylindol-2-one
PubChem CID1201570
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-benzyl-6-methoxy-3,3-dimethylindol-2-one
SMILESCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)C2(C)C
InChIInChI=1S/C18H19NO2/c1-18(2)15-10-9-14(21-3)11-16(15)19(17(18)20)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeySBDSUDJARZRSBB-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10402253
(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one
CID 54761735
3-acetyl-1,3-dibenzyl-5-methoxyindol-2-one
CID 11014506
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CID 15982400
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CID 126471107
2-[(3S)-1-benzyl-5-methoxy-3-(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetic acid
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5-benzyl-7,7-dimethyl-2-pyridin-4-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70420825
(3R)-1-benzyl-3-hydroxy-5-methoxy-3-[(2R)-2-phenylbut-3-enyl]indol-2-one
CID 134952514
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
(3R)-3-[(3S)-1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-2-oxoindol-3-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 139259388

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-3,3-dimethylindol-2-one?
The IUPAC name of 1-benzyl-6-methoxy-3,3-dimethylindol-2-one (CID 1201570) is 1-benzyl-6-methoxy-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-benzyl-6-methoxy-3,3-dimethylindol-2-one?
The canonical SMILES for 1-benzyl-6-methoxy-3,3-dimethylindol-2-one is COc1ccc2c(c1)N(Cc1ccccc1)C(=O)C2(C)C.
What is the InChIKey of 1-benzyl-6-methoxy-3,3-dimethylindol-2-one?
The InChIKey is SBDSUDJARZRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)15-10-9-14(21-3)11-16(15)19(17(18)20)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3.
What are the key properties of 1-benzyl-6-methoxy-3,3-dimethylindol-2-one?
1-benzyl-6-methoxy-3,3-dimethylindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-3,3-dimethylindol-2-one is sourced from PubChem (CID 1201570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).