7-bromo-1-(cyclopropylmethyl)indole-2,3-dione

C12H10BrNO2 — CID 61356437

IUPAC7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CC2)c2c(Br)cccc21
InChIInChI=1S/C12H10BrNO2/c13-9-3-1-2-8-10(9)14(6-7-4-5-7)12(16)11(8)15/h1-3,7H,4-6H2
InChIKeyXTGOZEFMBWOOSD-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.39
Rot. Bonds2

About 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione

7-bromo-1-(cyclopropylmethyl)indole-2,3-dione (PubChem CID 61356437) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
PubChem CID61356437
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CC2)c2c(Br)cccc21
InChIInChI=1S/C12H10BrNO2/c13-9-3-1-2-8-10(9)14(6-7-4-5-7)12(16)11(8)15/h1-3,7H,4-6H2
InChIKeyXTGOZEFMBWOOSD-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione 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

CID 6889
CID 6889
CID 611621
CID 611621
CID 3008304
CID 3008304
CID 16357
CID 16357
CID 54357
CID 54357
CID 3542734
CID 3542734
CID 1755771
CID 1755771
CID 1713563
CID 1713563
CID 2055049
CID 2055049
CID 1722911
CID 1722911
CID 2302353
CID 2302353
CID 1581092
CID 1581092

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione?
The IUPAC name of 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione (CID 61356437) is 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione?
The canonical SMILES for 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CC2)c2c(Br)cccc21.
What is the InChIKey of 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione?
The InChIKey is XTGOZEFMBWOOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-9-3-1-2-8-10(9)14(6-7-4-5-7)12(16)11(8)15/h1-3,7H,4-6H2.
What are the key properties of 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione?
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione has a molecular weight of 280.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(cyclopropylmethyl)indole-2,3-dione is sourced from PubChem (CID 61356437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).