1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone

C16H20N2O — CID 112695865

IUPAC1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H20N2O/c1-2-5-12-8-9-18(11-12)16(19)15-10-13-6-3-4-7-14(13)17-15/h3-4,6-7,10,12,17H,2,5,8-9,11H2,1H3
InChIKeyUEPGRYFTKMGFDT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.43
Rot. Bonds3

About 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone

1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 112695865) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
PubChem CID112695865
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H20N2O/c1-2-5-12-8-9-18(11-12)16(19)15-10-13-6-3-4-7-14(13)17-15/h3-4,6-7,10,12,17H,2,5,8-9,11H2,1H3
InChIKeyUEPGRYFTKMGFDT-UHFFFAOYSA-N
XLogP3.43
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 115667736
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 115661623
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone (CID 112695865) is 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is UEPGRYFTKMGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-12-8-9-18(11-12)16(19)15-10-13-6-3-4-7-14(13)17-15/h3-4,6-7,10,12,17H,2,5,8-9,11H2,1H3.
What are the key properties of 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone?
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112695865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).