(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone

C17H20N2O2 — CID 110309886

IUPAC(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCC1COCC(C)N1C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-11-21-12-14(2)19(13)17(20)15-6-5-7-16(10-15)18-8-3-4-9-18/h3-10,13-14H,11-12H2,1-2H3
InChIKeyMJJUFRGLCSASCE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.73
Rot. Bonds2

About (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone

(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 110309886) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID110309886
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCC1COCC(C)N1C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-11-21-12-14(2)19(13)17(20)15-6-5-7-16(10-15)18-8-3-4-9-18/h3-10,13-14H,11-12H2,1-2H3
InChIKeyMJJUFRGLCSASCE-UHFFFAOYSA-N
XLogP2.73
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
4-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]benzoic acid
CID 118918329
(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 167986271
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 43889704
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 175337539

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 110309886) is (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone is CC1COCC(C)N1C(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is MJJUFRGLCSASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-11-21-12-14(2)19(13)17(20)15-6-5-7-16(10-15)18-8-3-4-9-18/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110309886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).