(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone

C16H19FN2O — CID 59744843

IUPAC(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone
SMILESCCC[C@]1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1
InChIInChI=1S/C16H19FN2O/c1-2-4-16(5-7-18-10-16)15(20)12-8-11-3-6-19-14(11)13(17)9-12/h3,6,8-9,18-19H,2,4-5,7,10H2,1H3/t16-/m0/s1
InChIKeyNVHLQOKZIFFNOX-INIZCTEOSA-N
MW274.34 g/mol
LogP3.27
Rot. Bonds4

About (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone

(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone (PubChem CID 59744843) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone
PubChem CID59744843
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone
SMILESCCC[C@]1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1
InChIInChI=1S/C16H19FN2O/c1-2-4-16(5-7-18-10-16)15(20)12-8-11-3-6-19-14(11)13(17)9-12/h3,6,8-9,18-19H,2,4-5,7,10H2,1H3/t16-/m0/s1
InChIKeyNVHLQOKZIFFNOX-INIZCTEOSA-N
XLogP3.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
(4-bromo-3-chloro-2-fluorophenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 106763982

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone?
The IUPAC name of (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone (CID 59744843) is (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone?
The canonical SMILES for (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone is CCC[C@]1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1.
What is the InChIKey of (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone?
The InChIKey is NVHLQOKZIFFNOX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-4-16(5-7-18-10-16)15(20)12-8-11-3-6-19-14(11)13(17)9-12/h3,6,8-9,18-19H,2,4-5,7,10H2,1H3/t16-/m0/s1.
What are the key properties of (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone?
(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone has a molecular weight of 274.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 59744843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).