5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione

C15H15BrN2O2 — CID 79343460

IUPAC5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N(CC3CC3)C3CC3)c(Br)cc2C1=O
InChIInChI=1S/C15H15BrN2O2/c16-11-5-10-12(17-15(20)14(10)19)6-13(11)18(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H,17,19,20)
InChIKeyYKYQEFSZNVENCS-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.96
Rot. Bonds4

About 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione

5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione (PubChem CID 79343460) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione
PubChem CID79343460
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione
SMILESO=C1Nc2cc(N(CC3CC3)C3CC3)c(Br)cc2C1=O
InChIInChI=1S/C15H15BrN2O2/c16-11-5-10-12(17-15(20)14(10)19)6-13(11)18(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H,17,19,20)
InChIKeyYKYQEFSZNVENCS-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione with MolForge

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Related Compounds

6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746677
5-bromo-6-(diethylamino)-1H-indole-2,3-dione
CID 79335828
5-bromo-6-[methyl-(2-methyloxolan-3-yl)amino]-1H-indole-2,3-dione
CID 82739887
6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80757870
5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 79342508
5-bromo-6-[2-hydroxyethyl(propyl)amino]-1H-indole-2,3-dione
CID 79336104
5-bromo-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
CID 79343425
5-bromo-6-[2-ethoxyethyl(ethyl)amino]-1H-indole-2,3-dione
CID 79336177
5-bromo-6-[butyl(2-hydroxyethyl)amino]-1H-indole-2,3-dione
CID 79336662
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568
5-bromo-6-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-indole-2,3-dione
CID 79336385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione (CID 79343460) is 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione is O=C1Nc2cc(N(CC3CC3)C3CC3)c(Br)cc2C1=O.
What is the InChIKey of 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione?
The InChIKey is YKYQEFSZNVENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-11-5-10-12(17-15(20)14(10)19)6-13(11)18(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H,17,19,20).
What are the key properties of 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione?
5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione has a molecular weight of 335.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79343460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).