(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C18H21NO3 — CID 93480756

IUPAC(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc1
InChIInChI=1S/C18H21NO3/c1-12-10-17(13(2)22-12)18(20)19-9-8-15(11-19)14-4-6-16(21-3)7-5-14/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyKWJVACLBZUZQLS-HNNXBMFYSA-N
MW299.37 g/mol
LogP3.53
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 93480756) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID93480756
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc1
InChIInChI=1S/C18H21NO3/c1-12-10-17(13(2)22-12)18(20)19-9-8-15(11-19)14-4-6-16(21-3)7-5-14/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyKWJVACLBZUZQLS-HNNXBMFYSA-N
XLogP3.53
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
(2,5-dimethylfuran-3-yl)-[(2R,3R,6R)-3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 72859171
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162
3-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166249883
methyl 2-[(3R)-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99981985
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 93480756) is (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc([C@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is KWJVACLBZUZQLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-10-17(13(2)22-12)18(20)19-9-8-15(11-19)14-4-6-16(21-3)7-5-14/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 93480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).