1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C18H23N3O — CID 56820473

IUPAC1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCC1CN1CCCC1
InChIInChI=1S/C18H23N3O/c22-18(17-12-14-6-1-2-8-16(14)19-17)21-11-5-7-15(21)13-20-9-3-4-10-20/h1-2,6,8,12,15,19H,3-5,7,9-11,13H2
InChIKeyIAAUYIHTWYUVRY-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.87
Rot. Bonds3

About 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56820473) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56820473
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCCC1CN1CCCC1
InChIInChI=1S/C18H23N3O/c22-18(17-12-14-6-1-2-8-16(14)19-17)21-11-5-7-15(21)13-20-9-3-4-10-20/h1-2,6,8,12,15,19H,3-5,7,9-11,13H2
InChIKeyIAAUYIHTWYUVRY-UHFFFAOYSA-N
XLogP2.87
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
(5-fluoro-1H-indol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698506
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95603596
(5-methyl-1H-indol-2-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602704
1-benzothiophen-2-yl-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 142269608
2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136
(5-chloro-1H-indol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91649902

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56820473) is 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCCC1CN1CCCC1.
What is the InChIKey of 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IAAUYIHTWYUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(17-12-14-6-1-2-8-16(14)19-17)21-11-5-7-15(21)13-20-9-3-4-10-20/h1-2,6,8,12,15,19H,3-5,7,9-11,13H2.
What are the key properties of 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56820473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).