5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole

C14H17FN2 — CID 168939774

IUPAC5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole
SMILESCc1cn(C2CCN(C)C2)c2ccc(F)cc12
InChIInChI=1S/C14H17FN2/c1-10-8-17(12-5-6-16(2)9-12)14-4-3-11(15)7-13(10)14/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyADONVSWVEMZRAW-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.97
Rot. Bonds1

About 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole

5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole (PubChem CID 168939774) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole
PubChem CID168939774
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole
SMILESCc1cn(C2CCN(C)C2)c2ccc(F)cc12
InChIInChI=1S/C14H17FN2/c1-10-8-17(12-5-6-16(2)9-12)14-4-3-11(15)7-13(10)14/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyADONVSWVEMZRAW-UHFFFAOYSA-N
XLogP2.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-(3-fluorophenyl)sulfonyl-1-(1-methylpyrrolidin-3-yl)indole
CID 46880658
5-fluoro-1-[1-(6-methoxy-3-pyridinyl)azetidin-3-yl]-3-methylindole
CID 153405999
butyl 3-(5-fluoro-3-methylindol-1-yl)azetidine-1-carboxylate
CID 175895806
3-tert-butyl-1-cyclopentyl-5-fluoroindole
CID 137421345
6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one
CID 146947457
N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine
CID 89110077
6-bromo-1-(1-methylpyrrolidin-3-yl)indole
CID 137382323
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
1-cyclopropyl-3-methylindole;ethane
CID 145207186
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
2-(5-fluoro-3-methylindol-1-yl)acetaldehyde
CID 83829697
5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
CID 134434493

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole (CID 168939774) is 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole is Cc1cn(C2CCN(C)C2)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is ADONVSWVEMZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-8-17(12-5-6-16(2)9-12)14-4-3-11(15)7-13(10)14/h3-4,7-8,12H,5-6,9H2,1-2H3.
What are the key properties of 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole?
5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 232.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 168939774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).