(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone

C17H20N2O2 — CID 99928860

IUPAC(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc([C@@H]2CCN2C(=O)c2ccc(C)n2C)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-16(18(12)2)17(20)19-10-9-15(19)13-5-4-6-14(11-13)21-3/h4-8,11,15H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyKQQVYCQGZCAEFB-HNNXBMFYSA-N
MW284.36 g/mol
LogP2.93
Rot. Bonds3

About (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone

(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone (PubChem CID 99928860) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
PubChem CID99928860
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc([C@@H]2CCN2C(=O)c2ccc(C)n2C)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-16(18(12)2)17(20)19-10-9-15(19)13-5-4-6-14(11-13)21-3/h4-8,11,15H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyKQQVYCQGZCAEFB-HNNXBMFYSA-N
XLogP2.93
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 94618354
[6-(methoxymethyl)-2-pyridinyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 74235529
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97145875
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 95146953
(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 97122316
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95121040
[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70712326

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone (CID 99928860) is (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone is COc1cccc([C@@H]2CCN2C(=O)c2ccc(C)n2C)c1.
What is the InChIKey of (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The InChIKey is KQQVYCQGZCAEFB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-16(18(12)2)17(20)19-10-9-15(19)13-5-4-6-14(11-13)21-3/h4-8,11,15H,9-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 99928860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).