1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride

C14H19ClN2O5 — CID 2807054

IUPAC1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)CCN2CCOCC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H18N2O5.ClH/c1-20-14-3-2-11(10-12(14)16(18)19)13(17)4-5-15-6-8-21-9-7-15;/h2-3,10H,4-9H2,1H3;1H
InChIKeyYCGBVURBOXGZHA-UHFFFAOYSA-N
MW330.77 g/mol
LogP1.93
Rot. Bonds6

About 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride

1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 2807054) has the molecular formula C14H19ClN2O5 and a molecular weight of 330.77 g/mol. Its IUPAC name is 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID2807054
Molecular FormulaC14H19ClN2O5
Molecular Weight330.77 g/mol
Exact Mass330.10
IUPAC Name1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)CCN2CCOCC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H18N2O5.ClH/c1-20-14-3-2-11(10-12(14)16(18)19)13(17)4-5-15-6-8-21-9-7-15;/h2-3,10H,4-9H2,1H3;1H
InChIKeyYCGBVURBOXGZHA-UHFFFAOYSA-N
XLogP1.93
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-bromo-1-(4-methoxy-3-nitrophenyl)propan-1-one
CID 82136360
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
3-(4-benzylpiperazin-1-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)propan-1-one;dihydrochloride
CID 10185910
4-[2-chloro-2-(4-methoxy-3-nitrophenyl)ethyl]morpholine
CID 82215274
1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 11419230
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
1-(4-fluoro-3-nitrophenyl)-3-piperazin-1-ylpropan-1-one
CID 82136464
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride (CID 2807054) is 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride is COc1ccc(C(=O)CCN2CCOCC2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is YCGBVURBOXGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5.ClH/c1-20-14-3-2-11(10-12(14)16(18)19)13(17)4-5-15-6-8-21-9-7-15;/h2-3,10H,4-9H2,1H3;1H.
What are the key properties of 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 330.77 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-nitrophenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 2807054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).