1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone

C14H18N2O5 — CID 102934348

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC(CO)O1
InChIInChI=1S/C14H18N2O5/c1-10-7-15(8-12(9-17)21-10)14(18)6-11-4-2-3-5-13(11)16(19)20/h2-5,10,12,17H,6-9H2,1H3
InChIKeyDHPDTWPPKCYRFZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.75
Rot. Bonds4

About 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone (PubChem CID 102934348) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
PubChem CID102934348
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC(CO)O1
InChIInChI=1S/C14H18N2O5/c1-10-7-15(8-12(9-17)21-10)14(18)6-11-4-2-3-5-13(11)16(19)20/h2-5,10,12,17H,6-9H2,1H3
InChIKeyDHPDTWPPKCYRFZ-UHFFFAOYSA-N
XLogP0.75
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 876656
2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931485
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 81209298
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(5-hydroxy-2-nitrophenyl)methanone
CID 107076739
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2-nitrophenyl)ethanone
CID 103900487
2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931538
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-nitrophenyl)methanone
CID 102934573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone (CID 102934348) is 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone is CC1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC(CO)O1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone?
The InChIKey is DHPDTWPPKCYRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10-7-15(8-12(9-17)21-10)14(18)6-11-4-2-3-5-13(11)16(19)20/h2-5,10,12,17H,6-9H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone?
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone has a molecular weight of 294.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 102934348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).