[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone

C15H16N2O2 — CID 70742909

IUPAC[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1ccccc1OC1CN(C(=O)c2ccc[nH]2)C1
InChIInChI=1S/C15H16N2O2/c1-11-5-2-3-7-14(11)19-12-9-17(10-12)15(18)13-6-4-8-16-13/h2-8,12,16H,9-10H2,1H3
InChIKeyXZYBILZDONAWNK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds3

About [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone

[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 70742909) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID70742909
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1ccccc1OC1CN(C(=O)c2ccc[nH]2)C1
InChIInChI=1S/C15H16N2O2/c1-11-5-2-3-7-14(11)19-12-9-17(10-12)15(18)13-6-4-8-16-13/h2-8,12,16H,9-10H2,1H3
InChIKeyXZYBILZDONAWNK-UHFFFAOYSA-N
XLogP2.23
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-imidazol-2-yl)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 72861795
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 56756894
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 70774161
[3-(4-nitrophenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 99826031
[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 171709268
[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70716899
[3-(2-methylphenoxy)cyclobutyl]-phosphanylmethanone
CID 134430140
2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
CID 70773882
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
CID 86285870
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 162385915

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 70742909) is [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone is Cc1ccccc1OC1CN(C(=O)c2ccc[nH]2)C1.
What is the InChIKey of [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is XZYBILZDONAWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-5-2-3-7-14(11)19-12-9-17(10-12)15(18)13-6-4-8-16-13/h2-8,12,16H,9-10H2,1H3.
What are the key properties of [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 70742909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).