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

C12H17NO2 — CID 102700417

IUPAC1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
SMILESCOC(C)Cn1ccc2c1CCCC2=O
InChIInChI=1S/C12H17NO2/c1-9(15-2)8-13-7-6-10-11(13)4-3-5-12(10)14/h6-7,9H,3-5,8H2,1-2H3
InChIKeyOHVRKFMLRXTPMI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds3

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

1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 102700417) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
PubChem CID102700417
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
SMILESCOC(C)Cn1ccc2c1CCCC2=O
InChIInChI=1S/C12H17NO2/c1-9(15-2)8-13-7-6-10-11(13)4-3-5-12(10)14/h6-7,9H,3-5,8H2,1-2H3
InChIKeyOHVRKFMLRXTPMI-UHFFFAOYSA-N
XLogP2.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
CID 104765340
1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
CID 114134605
N-(2-methylpropyl)-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propanamide
CID 113411042
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-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
CID 106432325
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one (CID 102700417) is 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one is COC(C)Cn1ccc2c1CCCC2=O.
What is the InChIKey of 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is OHVRKFMLRXTPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(15-2)8-13-7-6-10-11(13)4-3-5-12(10)14/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one?
1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 207.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 102700417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).