1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

C17H24N2O3 — CID 91771584

IUPAC1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccccc1C1(O)CCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c1-14-4-2-3-5-15(14)17(21)6-7-19(13-17)16(20)12-18-8-10-22-11-9-18/h2-5,21H,6-13H2,1H3
InChIKeyWAUGRFNOPQVNJF-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.75
Rot. Bonds3

About 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 91771584) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID91771584
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccccc1C1(O)CCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c1-14-4-2-3-5-15(14)17(21)6-7-19(13-17)16(20)12-18-8-10-22-11-9-18/h2-5,21H,6-13H2,1H3
InChIKeyWAUGRFNOPQVNJF-UHFFFAOYSA-N
XLogP0.75
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 91771584) is 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccccc1C1(O)CCN(C(=O)CN2CCOCC2)C1.
What is the InChIKey of 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is WAUGRFNOPQVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-4-2-3-5-15(14)17(21)6-7-19(13-17)16(20)12-18-8-10-22-11-9-18/h2-5,21H,6-13H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 91771584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).