1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone

C16H21ClN2O2 — CID 102611255

IUPAC1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CCCC2c2cccc(Cl)c2)CNC1
InChIInChI=1S/C16H21ClN2O2/c1-16(10-18-11-16)21-9-15(20)19-7-3-6-14(19)12-4-2-5-13(17)8-12/h2,4-5,8,14,18H,3,6-7,9-11H2,1H3
InChIKeyIERPDJNNVBGYON-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone

1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102611255) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102611255
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CCCC2c2cccc(Cl)c2)CNC1
InChIInChI=1S/C16H21ClN2O2/c1-16(10-18-11-16)21-9-15(20)19-7-3-6-14(19)12-4-2-5-13(17)8-12/h2,4-5,8,14,18H,3,6-7,9-11H2,1H3
InChIKeyIERPDJNNVBGYON-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 63131937
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanone
CID 160684070
2-(3-chlorophenoxy)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 35604202
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 166240610
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone (CID 102611255) is 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone is CC1(OCC(=O)N2CCCC2c2cccc(Cl)c2)CNC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is IERPDJNNVBGYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-16(10-18-11-16)21-9-15(20)19-7-3-6-14(19)12-4-2-5-13(17)8-12/h2,4-5,8,14,18H,3,6-7,9-11H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 308.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102611255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).