(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone

C18H21FN2O — CID 87042859

IUPAC(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCCC1C1CCCC1
InChIInChI=1S/C18H21FN2O/c19-14-7-8-15-13(10-14)11-16(20-15)18(22)21-9-3-6-17(21)12-4-1-2-5-12/h7-8,10-12,17,20H,1-6,9H2
InChIKeyQPPYXYOWKBOXMY-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.10
Rot. Bonds2

About (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone

(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 87042859) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID87042859
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCCC1C1CCCC1
InChIInChI=1S/C18H21FN2O/c19-14-7-8-15-13(10-14)11-16(20-15)18(22)21-9-3-6-17(21)12-4-1-2-5-12/h7-8,10-12,17,20H,1-6,9H2
InChIKeyQPPYXYOWKBOXMY-UHFFFAOYSA-N
XLogP4.10
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698506
1-[(4aS,8aR)-1-(5-fluoro-1H-indole-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-methoxyethanone
CID 133125587
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 51939239
(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 122421137
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124976851
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95270014

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone (CID 87042859) is (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC1C1CCCC1.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is QPPYXYOWKBOXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-14-7-8-15-13(10-14)11-16(20-15)18(22)21-9-3-6-17(21)12-4-1-2-5-12/h7-8,10-12,17,20H,1-6,9H2.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone?
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 300.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 87042859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).