1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone

C14H16N2O5 — CID 2210686

IUPAC1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone
SMILESO=C(COc1ccc(/C=C\[N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C14H16N2O5/c17-14(15-7-9-20-10-8-15)11-21-13-3-1-12(2-4-13)5-6-16(18)19/h1-6H,7-11H2/b6-5-
InChIKeyUKMFYHIIVBBYIA-WAYWQWQTSA-N
MW292.29 g/mol
LogP1.17
Rot. Bonds5

About 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone

1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone (PubChem CID 2210686) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone
PubChem CID2210686
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone
SMILESO=C(COc1ccc(/C=C\[N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C14H16N2O5/c17-14(15-7-9-20-10-8-15)11-21-13-3-1-12(2-4-13)5-6-16(18)19/h1-6H,7-11H2/b6-5-
InChIKeyUKMFYHIIVBBYIA-WAYWQWQTSA-N
XLogP1.17
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
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

Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
2-[2-ethoxy-4-[(Z)-2-nitroethenyl]phenoxy]-1-morpholin-4-ylethanone
CID 2202307
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 9110593
4-[(3-Methylphenoxy)acetyl]morpholine
CID 4478117
Mofoxime
CID 9570461
2-(4-Methylphenoxy)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 880785
2-(3,4-Dimethylphenoxy)-1-morpholin-4-ylethanone
CID 834348
2-(4-Methylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 831614
{4-[2-(Morpholin-4-yl)-2-oxoethoxy]benzylidene}propanedinitrile
CID 1075419
2-(2-Ethylphenoxy)-1-morpholinoethanone
CID 724822
2-(4-Isopropylphenoxy)-1-morpholinoethanone
CID 797980
4-[(4-Ethylphenoxy)acetyl]morpholine
CID 806693

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone (CID 2210686) is 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone is O=C(COc1ccc(/C=C\[N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone?
The InChIKey is UKMFYHIIVBBYIA-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-14(15-7-9-20-10-8-15)11-21-13-3-1-12(2-4-13)5-6-16(18)19/h1-6H,7-11H2/b6-5-.
What are the key properties of 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone?
1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone has a molecular weight of 292.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(Z)-2-nitroethenyl]phenoxy]ethanone is sourced from PubChem (CID 2210686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).