2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone

C15H18N2O3 — CID 131890137

IUPAC2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
SMILESCOc1cccc(OC2CN(C(=O)C3C=CCN3)C2)c1
InChIInChI=1S/C15H18N2O3/c1-19-11-4-2-5-12(8-11)20-13-9-17(10-13)15(18)14-6-3-7-16-14/h2-6,8,13-14,16H,7,9-10H2,1H3
InChIKeyOSFXSVYQXXCNFB-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.81
Rot. Bonds4

About 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone

2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone (PubChem CID 131890137) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
PubChem CID131890137
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
SMILESCOc1cccc(OC2CN(C(=O)C3C=CCN3)C2)c1
InChIInChI=1S/C15H18N2O3/c1-19-11-4-2-5-12(8-11)20-13-9-17(10-13)15(18)14-6-3-7-16-14/h2-6,8,13-14,16H,7,9-10H2,1H3
InChIKeyOSFXSVYQXXCNFB-UHFFFAOYSA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
2-[3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70729938
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97198398
N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 122562793
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one
CID 91832930
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911334
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone (CID 131890137) is 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone is COc1cccc(OC2CN(C(=O)C3C=CCN3)C2)c1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone?
The InChIKey is OSFXSVYQXXCNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-11-4-2-5-12(8-11)20-13-9-17(10-13)15(18)14-6-3-7-16-14/h2-6,8,13-14,16H,7,9-10H2,1H3.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone?
2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 131890137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).