(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H25N3O — CID 95290652

IUPAC(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)[nH]c2c1
InChIInChI=1S/C19H25N3O/c1-13-7-8-14-12-16(20-15(14)11-13)19(23)22-10-4-6-18(22)17-5-3-9-21(17)2/h7-8,11-12,17-18,20H,3-6,9-10H2,1-2H3/t17-,18-/m1/s1
InChIKeyHXIZDZJKZAOJEA-QZTJIDSGSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds2

About (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95290652) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95290652
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)[nH]c2c1
InChIInChI=1S/C19H25N3O/c1-13-7-8-14-12-16(20-15(14)11-13)19(23)22-10-4-6-18(22)17-5-3-9-21(17)2/h7-8,11-12,17-18,20H,3-6,9-10H2,1-2H3/t17-,18-/m1/s1
InChIKeyHXIZDZJKZAOJEA-QZTJIDSGSA-N
XLogP3.18
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
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(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
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[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
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(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
1-[(4aS,8aR)-4a-methyl-5-(6-methyl-1H-indole-2-carbonyl)-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110133579
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
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CID 91642214
[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 77421286
(4-fluorocyclohepta-1,3,6-trien-1-yl)-[1-[2-[1-(6-methyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]methanone
CID 123703831
(5-methyl-1H-indol-2-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126446207
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 95306572

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95290652) is (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is HXIZDZJKZAOJEA-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-7-8-14-12-16(20-15(14)11-13)19(23)22-10-4-6-18(22)17-5-3-9-21(17)2/h7-8,11-12,17-18,20H,3-6,9-10H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 311.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95290652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).