1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one

C15H24N2O — CID 114134605

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCCC(C)N(C)CCn1ccc2c1CCCC2=O
InChIInChI=1S/C15H24N2O/c1-4-12(2)16(3)10-11-17-9-8-13-14(17)6-5-7-15(13)18/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyRWZFUJZBRRXYQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one

1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 114134605) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
PubChem CID114134605
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCCC(C)N(C)CCn1ccc2c1CCCC2=O
InChIInChI=1S/C15H24N2O/c1-4-12(2)16(3)10-11-17-9-8-13-14(17)6-5-7-15(13)18/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyRWZFUJZBRRXYQN-UHFFFAOYSA-N
XLogP2.74
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.74
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
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
CID 83114594
1-(2-methoxypropyl)-6,7-dihydro-5H-indol-4-one
CID 102700417
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
CID 62640255
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
1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one
CID 113413211
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-(dimethylamino)-6,7-dihydro-5H-indol-4-one
CID 83023680
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
CID 62038577
1-(2-methoxy-2-methylpropyl)-6,7-dihydro-5H-indol-4-one
CID 104765340

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one (CID 114134605) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one is CCC(C)N(C)CCn1ccc2c1CCCC2=O.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is RWZFUJZBRRXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(2)16(3)10-11-17-9-8-13-14(17)6-5-7-15(13)18/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one?
1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 248.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 114134605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).