1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one

C18H22N2O2 — CID 94647439

IUPAC1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
SMILESC[C@H]1COCCN1C(=O)CCc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H22N2O2/c1-14-13-22-12-11-20(14)18(21)10-8-16-7-9-17(19-16)15-5-3-2-4-6-15/h2-7,9,14,19H,8,10-13H2,1H3/t14-/m0/s1
InChIKeyUPENPOXPEBPEOO-AWEZNQCLSA-N
MW298.39 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one

1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one (PubChem CID 94647439) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
PubChem CID94647439
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
SMILESC[C@H]1COCCN1C(=O)CCc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H22N2O2/c1-14-13-22-12-11-20(14)18(21)10-8-16-7-9-17(19-16)15-5-3-2-4-6-15/h2-7,9,14,19H,8,10-13H2,1H3/t14-/m0/s1
InChIKeyUPENPOXPEBPEOO-AWEZNQCLSA-N
XLogP2.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-morpholin-4-yl-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 51088025
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide
CID 56823123
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-methylmorpholin-4-yl)ethanone
CID 80573193
(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide
CID 94657897

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one (CID 94647439) is 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one is C[C@H]1COCCN1C(=O)CCc1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is UPENPOXPEBPEOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-13-22-12-11-20(14)18(21)10-8-16-7-9-17(19-16)15-5-3-2-4-6-15/h2-7,9,14,19H,8,10-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one?
1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 94647439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).