(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone

C16H19FN2O — CID 176934102

IUPAC(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1F
InChIInChI=1S/C16H19FN2O/c1-10(2)12-6-5-11-9-13(18-15(11)14(12)17)16(20)19-7-3-4-8-19/h5-6,9-10,18H,3-4,7-8H2,1-2H3
InChIKeyZTJMGYIOOBRRFX-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.67
Rot. Bonds2

About (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone

(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 176934102) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID176934102
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1F
InChIInChI=1S/C16H19FN2O/c1-10(2)12-6-5-11-9-13(18-15(11)14(12)17)16(20)19-7-3-4-8-19/h5-6,9-10,18H,3-4,7-8H2,1-2H3
InChIKeyZTJMGYIOOBRRFX-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-ethyl-7-fluoro-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 176934668
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
1-[(3S)-3-[2-(azetidine-1-carbonyl)-7-fluoro-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]ethanone
CID 176933666
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932104
(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 162420392
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176811382
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
1-[(3S)-3-[7-fluoro-2-(piperidine-1-carbonyl)-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176931731
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone (CID 176934102) is (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone is CC(C)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1F.
What is the InChIKey of (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZTJMGYIOOBRRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10(2)12-6-5-11-9-13(18-15(11)14(12)17)16(20)19-7-3-4-8-19/h5-6,9-10,18H,3-4,7-8H2,1-2H3.
What are the key properties of (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
(7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 274.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-6-propan-2-yl-1H-indol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 176934102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).