1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C21H26ClNO — CID 51856008

IUPAC1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26ClNO/c22-18-5-2-1-4-17(18)19-6-3-7-23(19)20(24)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,4-5,14-16,19H,3,6-13H2/t14?,15?,16?,19-,21?/m0/s1
InChIKeyRUQBAUHFCRABTR-IXYLRAAXSA-N
MW343.90 g/mol
LogP5.22
Rot. Bonds2

About 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 51856008) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID51856008
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26ClNO/c22-18-5-2-1-4-17(18)19-6-3-7-23(19)20(24)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,4-5,14-16,19H,3,6-13H2/t14?,15?,16?,19-,21?/m0/s1
InChIKeyRUQBAUHFCRABTR-IXYLRAAXSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856249
1-adamantyl-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92762007
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
1-adamantyl-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 73169060
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51856452
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 51856008) is 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is O=C(N1CCC[C@H]1c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is RUQBAUHFCRABTR-IXYLRAAXSA-N. The full InChI is InChI=1S/C21H26ClNO/c22-18-5-2-1-4-17(18)19-6-3-7-23(19)20(24)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,4-5,14-16,19H,3,6-13H2/t14?,15?,16?,19-,21?/m0/s1.
What are the key properties of 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 343.90 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51856008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).