(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone

C14H17FN2O — CID 103822175

IUPAC(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O/c1-9-7-16-8-12(9)14(18)17-5-4-10-2-3-11(15)6-13(10)17/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyVUSQVRUNUCCRRV-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.57
Rot. Bonds1

About (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone

(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 103822175) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID103822175
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O/c1-9-7-16-8-12(9)14(18)17-5-4-10-2-3-11(15)6-13(10)17/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyVUSQVRUNUCCRRV-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone (CID 103822175) is (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is VUSQVRUNUCCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9-7-16-8-12(9)14(18)17-5-4-10-2-3-11(15)6-13(10)17/h2-3,6,9,12,16H,4-5,7-8H2,1H3.
What are the key properties of (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 248.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 103822175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).