(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone

C16H21N3O — CID 67619877

IUPAC(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone
SMILESCN[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1C
InChIInChI=1S/C16H21N3O/c1-11-8-19(10-14(11)17-2)16(20)13-9-18(3)15-7-5-4-6-12(13)15/h4-7,9,11,14,17H,8,10H2,1-3H3/t11-,14+/m0/s1
InChIKeyXBZGITOYZGXVEI-SMDDNHRTSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds2

About (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone

(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 67619877) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID67619877
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone
SMILESCN[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1C
InChIInChI=1S/C16H21N3O/c1-11-8-19(10-14(11)17-2)16(20)13-9-18(3)15-7-5-4-6-12(13)15/h4-7,9,11,14,17H,8,10H2,1-3H3/t11-,14+/m0/s1
InChIKeyXBZGITOYZGXVEI-SMDDNHRTSA-N
XLogP1.86
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
CID 171512086
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
CID 46448196
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone (CID 67619877) is (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone is CN[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@@H]1C.
What is the InChIKey of (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is XBZGITOYZGXVEI-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-19(10-14(11)17-2)16(20)13-9-18(3)15-7-5-4-6-12(13)15/h4-7,9,11,14,17H,8,10H2,1-3H3/t11-,14+/m0/s1.
What are the key properties of (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone?
(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 271.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 67619877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).