(3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one

C16H21BrN2O — CID 162644569

IUPAC(3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one
SMILESC=CC(C)(C)[C@@]1(CCNC)C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C16H21BrN2O/c1-5-15(2,3)16(8-9-18-4)12-7-6-11(17)10-13(12)19-14(16)20/h5-7,10,18H,1,8-9H2,2-4H3,(H,19,20)/t16-/m1/s1
InChIKeyYETBRWDKUMDFIQ-MRXNPFEDSA-N
MW337.26 g/mol
LogP3.46
Rot. Bonds5

About (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one

(3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one (PubChem CID 162644569) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one
PubChem CID162644569
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one
SMILESC=CC(C)(C)[C@@]1(CCNC)C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C16H21BrN2O/c1-5-15(2,3)16(8-9-18-4)12-7-6-11(17)10-13(12)19-14(16)20/h5-7,10,18H,1,8-9H2,2-4H3,(H,19,20)/t16-/m1/s1
InChIKeyYETBRWDKUMDFIQ-MRXNPFEDSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-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

6-bromo-2,3-dihydro-1H-indol-2-one
CID 2773289
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
Amedalin
CID 31075
5'-Bromo-2-butyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956438
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CID 12052796
5-bromo-2'-hept-1-ynylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 44410114
(3Z)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-bromo-1H-indol-2-one
CID 168284938
(S)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067549
1'-Boc-5-Bromo-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]
CID 45789934
4-bromo-2,3-dihydro-1H-indol-2-one
CID 2763190
5-bromo-3-methyl-2,3-dihydro-1H-indol-2-one
CID 12085934

Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one?
The IUPAC name of (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one (CID 162644569) is (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one.
What is the SMILES notation for (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one?
The canonical SMILES for (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one is C=CC(C)(C)[C@@]1(CCNC)C(=O)Nc2cc(Br)ccc21.
What is the InChIKey of (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one?
The InChIKey is YETBRWDKUMDFIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-5-15(2,3)16(8-9-18-4)12-7-6-11(17)10-13(12)19-14(16)20/h5-7,10,18H,1,8-9H2,2-4H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one?
(3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one has a molecular weight of 337.26 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-[2-(methylamino)ethyl]-3-(2-methylbut-3-en-2-yl)-1H-indol-2-one is sourced from PubChem (CID 162644569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).