(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone

C14H15BrN2O — CID 22967081

IUPAC(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H15BrN2O/c1-17-6-2-3-13(17)14(18)11-8-16-12-5-4-9(15)7-10(11)12/h4-5,7-8,13,16H,2-3,6H2,1H3
InChIKeyBUGZSUUATXLOIH-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.21
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone

(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 22967081) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
PubChem CID22967081
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H15BrN2O/c1-17-6-2-3-13(17)14(18)11-8-16-12-5-4-9(15)7-10(11)12/h4-5,7-8,13,16H,2-3,6H2,1H3
InChIKeyBUGZSUUATXLOIH-UHFFFAOYSA-N
XLogP3.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
2-(5-bromo-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391844
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide
CID 25362200
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
3-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-6-bromo-1H-quinolin-4-one
CID 99783009

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone (CID 22967081) is (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is BUGZSUUATXLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17-6-2-3-13(17)14(18)11-8-16-12-5-4-9(15)7-10(11)12/h4-5,7-8,13,16H,2-3,6H2,1H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone?
(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 307.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 22967081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).