1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one

C13H19NO2 — CID 104765340

IUPAC1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
SMILESCOC(C)(C)Cn1ccc2c1CCCC2=O
InChIInChI=1S/C13H19NO2/c1-13(2,16-3)9-14-8-7-10-11(14)5-4-6-12(10)15/h7-8H,4-6,9H2,1-3H3
InChIKeyRXISOIYEAVYIPB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one

1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 104765340) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
PubChem CID104765340
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
SMILESCOC(C)(C)Cn1ccc2c1CCCC2=O
InChIInChI=1S/C13H19NO2/c1-13(2,16-3)9-14-8-7-10-11(14)5-4-6-12(10)15/h7-8H,4-6,9H2,1-3H3
InChIKeyRXISOIYEAVYIPB-UHFFFAOYSA-N
XLogP2.43
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
CID 102700417
1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877
1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
CID 106432325
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
CID 114124699
N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400
1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
CID 114134605
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
CID 79238113
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
CID 83114594
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
CID 112671925
1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
CID 141033006
1-(thiolan-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 80586096
1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
CID 83023680

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one (CID 104765340) is 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one is COC(C)(C)Cn1ccc2c1CCCC2=O.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is RXISOIYEAVYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,16-3)9-14-8-7-10-11(14)5-4-6-12(10)15/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one?
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 221.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 104765340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).