(3R)-3-ethyl-1-methyl-3H-indol-2-one

C11H13NO — CID 51382688

IUPAC(3R)-3-ethyl-1-methyl-3H-indol-2-one
SMILESCC[C@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H13NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h4-8H,3H2,1-2H3/t8-/m1/s1
InChIKeyDATXIRBYUHELMF-MRVPVSSYSA-N
MW175.23 g/mol
LogP2.16
Rot. Bonds1

About (3R)-3-ethyl-1-methyl-3H-indol-2-one

(3R)-3-ethyl-1-methyl-3H-indol-2-one (PubChem CID 51382688) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-3-ethyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-1-methyl-3H-indol-2-one
PubChem CID51382688
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3R)-3-ethyl-1-methyl-3H-indol-2-one
SMILESCC[C@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H13NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h4-8H,3H2,1-2H3/t8-/m1/s1
InChIKeyDATXIRBYUHELMF-MRVPVSSYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
CID 6954862
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
CID 26342865
1-methyl-3-prop-2-ynyl-3H-indol-2-one
CID 141131768
3-(1-methyl-2-oxo-3H-indol-3-yl)propanoic acid
CID 14956191
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
3-ethyl-1-prop-2-enyl-3H-indol-2-one
CID 15047278
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43912424
4-bromo-3-ethyl-1-methyl-3H-indol-2-one
CID 102131147
3-ethyl-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
CID 10654865
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 821679

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1-methyl-3H-indol-2-one?
The IUPAC name of (3R)-3-ethyl-1-methyl-3H-indol-2-one (CID 51382688) is (3R)-3-ethyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3R)-3-ethyl-1-methyl-3H-indol-2-one?
The canonical SMILES for (3R)-3-ethyl-1-methyl-3H-indol-2-one is CC[C@H]1C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-3-ethyl-1-methyl-3H-indol-2-one?
The InChIKey is DATXIRBYUHELMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h4-8H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-methyl-3H-indol-2-one?
(3R)-3-ethyl-1-methyl-3H-indol-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 51382688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).