1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one

C14H17NO2 — CID 82474830

IUPAC1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(C3(C)CO3)ccc21
InChIInChI=1S/C14H17NO2/c1-13(2)10-7-9(14(3)8-17-14)5-6-11(10)15(4)12(13)16/h5-7H,8H2,1-4H3
InChIKeyHWHCHMQHZBPDRE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.19
Rot. Bonds1

About 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one

1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one (PubChem CID 82474830) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one
PubChem CID82474830
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(C3(C)CO3)ccc21
InChIInChI=1S/C14H17NO2/c1-13(2)10-7-9(14(3)8-17-14)5-6-11(10)15(4)12(13)16/h5-7H,8H2,1-4H3
InChIKeyHWHCHMQHZBPDRE-UHFFFAOYSA-N
XLogP2.19
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)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

3-(1,3,3-trimethyl-2-oxoindol-5-yl)oxetane-3-carbonitrile
CID 116996965
2-oxo-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetic acid
CID 82479711
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82172350
5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82475607
5-(2-aminoacetyl)-1,3,3-trimethylindol-2-one
CID 82495676
5,6-diamino-1,3,3-trimethylindol-2-one
CID 23092656
5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
CID 82487605
(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea
CID 169359637
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
CID 161024534
1-acetyl-N-(1,3,3-trimethyl-2-oxoindol-5-yl)piperidine-4-carboxamide
CID 110742190
1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
CID 21300254

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one (CID 82474830) is 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one is CN1C(=O)C(C)(C)c2cc(C3(C)CO3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one?
The InChIKey is HWHCHMQHZBPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-13(2)10-7-9(14(3)8-17-14)5-6-11(10)15(4)12(13)16/h5-7H,8H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one?
1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-(2-methyloxiran-2-yl)indol-2-one is sourced from PubChem (CID 82474830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).