2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone

C18H18ClN3O — CID 95232987

IUPAC2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C18H18ClN3O/c19-13-5-6-14-12(11-21-16(14)10-13)9-18(23)22-8-2-4-17(22)15-3-1-7-20-15/h1,3,5-7,10-11,17,20-21H,2,4,8-9H2/t17-/m1/s1
InChIKeyWLYUBUWOSQPDQG-QGZVFWFLSA-N
MW327.81 g/mol
LogP4.06
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone

2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95232987) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID95232987
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C18H18ClN3O/c19-13-5-6-14-12(11-21-16(14)10-13)9-18(23)22-8-2-4-17(22)15-3-1-7-20-15/h1,3,5-7,10-11,17,20-21H,2,4,8-9H2/t17-/m1/s1
InChIKeyWLYUBUWOSQPDQG-QGZVFWFLSA-N
XLogP4.06
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
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2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
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CID 79203455
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
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CID 110849334
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone (CID 95232987) is 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone is O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]1c1ccc[nH]1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WLYUBUWOSQPDQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-13-5-6-14-12(11-21-16(14)10-13)9-18(23)22-8-2-4-17(22)15-3-1-7-20-15/h1,3,5-7,10-11,17,20-21H,2,4,8-9H2/t17-/m1/s1.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 327.81 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95232987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).