1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one

C16H23NO — CID 170076042

IUPAC1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one
SMILESCCN1C(=O)C(C(C)(C)CC)c2cc(C)ccc21
InChIInChI=1S/C16H23NO/c1-6-16(4,5)14-12-10-11(3)8-9-13(12)17(7-2)15(14)18/h8-10,14H,6-7H2,1-5H3
InChIKeyHGUWSDZIZCCEKF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.88
Rot. Bonds3

About 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one

1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one (PubChem CID 170076042) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one
PubChem CID170076042
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one
SMILESCCN1C(=O)C(C(C)(C)CC)c2cc(C)ccc21
InChIInChI=1S/C16H23NO/c1-6-16(4,5)14-12-10-11(3)8-9-13(12)17(7-2)15(14)18/h8-10,14H,6-7H2,1-5H3
InChIKeyHGUWSDZIZCCEKF-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-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-ethyl-6-methyl-4-propan-2-yl-4H-3,1-benzoxazin-2-one
CID 141173073
3-acetyl-1-ethyl-6-methyl-3H-indol-2-one
CID 14003256
1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172314
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
CID 71815052
4-ethyl-7-methyl-2-(2-oxopentyl)-1,4-benzoxazin-3-one
CID 144704127
(3S,4S)-1-ethyl-6-fluoro-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 134854407
2-[5-methyl-3-(methylamino)-2-oxo-3H-indol-1-yl]acetonitrile
CID 82235293
5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one
CID 174878770
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
CID 43254818
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61485983

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one (CID 170076042) is 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one is CCN1C(=O)C(C(C)(C)CC)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one?
The InChIKey is HGUWSDZIZCCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-6-16(4,5)14-12-10-11(3)8-9-13(12)17(7-2)15(14)18/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one?
1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3-(2-methylbutan-2-yl)-3H-indol-2-one is sourced from PubChem (CID 170076042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).