5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one

C14H10BrNO3 — CID 43463242

IUPAC5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3ccc(Br)o3)ccc21
InChIInChI=1S/C14H10BrNO3/c1-16-10-3-2-8(6-9(10)7-13(16)17)14(18)11-4-5-12(15)19-11/h2-6H,7H2,1H3
InChIKeySYFHFIDOQABNIV-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.79
Rot. Bonds2

About 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one

5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one (PubChem CID 43463242) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
PubChem CID43463242
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3ccc(Br)o3)ccc21
InChIInChI=1S/C14H10BrNO3/c1-16-10-3-2-8(6-9(10)7-13(16)17)14(18)11-4-5-12(15)19-11/h2-6H,7H2,1H3
InChIKeySYFHFIDOQABNIV-UHFFFAOYSA-N
XLogP2.79
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one
CID 43463232
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43248282
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447
5-(4-bromo-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43161338
6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006405
(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63020563
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one (CID 43463242) is 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)c3ccc(Br)o3)ccc21.
What is the InChIKey of 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one?
The InChIKey is SYFHFIDOQABNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c1-16-10-3-2-8(6-9(10)7-13(16)17)14(18)11-4-5-12(15)19-11/h2-6H,7H2,1H3.
What are the key properties of 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one?
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one has a molecular weight of 320.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43463242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).