[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone

C14H16ClNO2 — CID 71929460

IUPAC[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c15-12-3-1-10(2-4-12)13-5-7-16(13)14(17)11-6-8-18-9-11/h1-4,11,13H,5-9H2
InChIKeyXMVWQBQUDRATQQ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.65
Rot. Bonds2

About [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone

[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 71929460) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID71929460
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c15-12-3-1-10(2-4-12)13-5-7-16(13)14(17)11-6-8-18-9-11/h1-4,11,13H,5-9H2
InChIKeyXMVWQBQUDRATQQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217115
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217116
[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 123667986
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
CID 122331065
(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 122139809
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693415
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 30839694

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone (CID 71929460) is [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is XMVWQBQUDRATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-3-1-10(2-4-12)13-5-7-16(13)14(17)11-6-8-18-9-11/h1-4,11,13H,5-9H2.
What are the key properties of [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone?
[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 265.74 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 71929460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).