azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C14H17ClN2O — CID 124515538

IUPACazetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CNC1)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c15-12-5-2-1-4-11(12)13-6-3-7-17(13)14(18)10-8-16-9-10/h1-2,4-5,10,13,16H,3,6-9H2/t13-/m0/s1
InChIKeyCXTRRHIQXUBAFO-ZDUSSCGKSA-N
MW264.76 g/mol
LogP2.22
Rot. Bonds2

About azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 124515538) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID124515538
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Nameazetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CNC1)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c15-12-5-2-1-4-11(12)13-6-3-7-17(13)14(18)10-8-16-9-10/h1-2,4-5,10,13,16H,3,6-9H2/t13-/m0/s1
InChIKeyCXTRRHIQXUBAFO-ZDUSSCGKSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 136578562
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 60947717
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120924017
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
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 124515538) is azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is O=C(C1CNC1)N1CCC[C@H]1c1ccccc1Cl.
What is the InChIKey of azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CXTRRHIQXUBAFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-5-2-1-4-11(12)13-6-3-7-17(13)14(18)10-8-16-9-10/h1-2,4-5,10,13,16H,3,6-9H2/t13-/m0/s1.
What are the key properties of azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.76 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124515538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).