(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone

C13H13ClN2O — CID 3661150

IUPAC(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC1
InChIInChI=1S/C13H13ClN2O/c14-10-3-4-11-9(7-10)8-12(15-11)13(17)16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6H2
InChIKeyNTADKRRWSQXPRM-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.06
Rot. Bonds1

About (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone

(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 3661150) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID3661150
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC1
InChIInChI=1S/C13H13ClN2O/c14-10-3-4-11-9(7-10)8-12(15-11)13(17)16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6H2
InChIKeyNTADKRRWSQXPRM-UHFFFAOYSA-N
XLogP3.06
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
CID 131965590
(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95270014
(5-chloro-1H-indol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91649902

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone (CID 3661150) is (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NTADKRRWSQXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-10-3-4-11-9(7-10)8-12(15-11)13(17)16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 248.71 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3661150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).