2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone

C17H17ClN2O — CID 122243171

IUPAC2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(c2ccccn2)C1
InChIInChI=1S/C17H17ClN2O/c18-15-6-2-1-5-13(15)11-17(21)20-10-8-14(12-20)16-7-3-4-9-19-16/h1-7,9,14H,8,10-12H2
InChIKeyMUHWGUJZZRQHPQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.29
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone

2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 122243171) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID122243171
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(c2ccccn2)C1
InChIInChI=1S/C17H17ClN2O/c18-15-6-2-1-5-13(15)11-17(21)20-10-8-14(12-20)16-7-3-4-9-19-16/h1-7,9,14H,8,10-12H2
InChIKeyMUHWGUJZZRQHPQ-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 839135
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CID 2726744
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CID 2815214
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CID 2971027
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone (CID 122243171) is 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone is O=C(Cc1ccccc1Cl)N1CCC(c2ccccn2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is MUHWGUJZZRQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-6-2-1-5-13(15)11-17(21)20-10-8-14(12-20)16-7-3-4-9-19-16/h1-7,9,14H,8,10-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 300.79 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 122243171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).