2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C15H17ClN2O — CID 103475166

IUPAC2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)n1ccc2cccc(Cl)c21
InChIInChI=1S/C15H17ClN2O/c1-11(15(19)17-8-2-3-9-17)18-10-7-12-5-4-6-13(16)14(12)18/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyIECLFOWPOSBHIQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.48
Rot. Bonds2

About 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103475166) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103475166
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)n1ccc2cccc(Cl)c21
InChIInChI=1S/C15H17ClN2O/c1-11(15(19)17-8-2-3-9-17)18-10-7-12-5-4-6-13(16)14(12)18/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyIECLFOWPOSBHIQ-UHFFFAOYSA-N
XLogP3.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103475259
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(2S)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723142
3-amino-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridin-2-one
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1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide
CID 16661921
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 41103121
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678
2-[4-[3-(2,3-dichlorophenyl)propanoyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890836
(2S)-2-[4-[(2-chloro-6-methoxyphenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97160455
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 103475166) is 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)n1ccc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IECLFOWPOSBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(15(19)17-8-2-3-9-17)18-10-7-12-5-4-6-13(16)14(12)18/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103475166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).