[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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Related Compounds

(2,4-dimethylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 71877422
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252292
methyl 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 43074086
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33007376
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731513
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9442872
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30605699
3-(furan-2-yl)-1-(3-methylmorpholin-4-yl)-2-(4-methylphenyl)propan-1-one
CID 110309789
(2S)-2-(4-acetylpiperazin-1-yl)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 9276152
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396

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).