[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone

C17H22N2O3 — CID 94151412

IUPAC[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1Cc1ccco1
InChIInChI=1S/C17H22N2O3/c1-12-9-16(17(20)18-6-8-21-11-13(18)2)14(3)19(12)10-15-5-4-7-22-15/h4-5,7,9,13H,6,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyXMEPXMYQFFPOEH-CYBMUJFWSA-N
MW302.37 g/mol
LogP2.61
Rot. Bonds3

About [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone

[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 94151412) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID94151412
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1Cc1ccco1
InChIInChI=1S/C17H22N2O3/c1-12-9-16(17(20)18-6-8-21-11-13(18)2)14(3)19(12)10-15-5-4-7-22-15/h4-5,7,9,13H,6,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyXMEPXMYQFFPOEH-CYBMUJFWSA-N
XLogP2.61
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 94151412) is [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1Cc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is XMEPXMYQFFPOEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-9-16(17(20)18-6-8-21-11-13(18)2)14(3)19(12)10-15-5-4-7-22-15/h4-5,7,9,13H,6,8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 302.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 94151412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).