2-morpholin-4-yl-5-nitrobenzaldehyde

C11H12N2O4 — CID 2794872

IUPAC2-morpholin-4-yl-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C11H12N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2
InChIKeyPCGDWIWUQDHQLK-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.24
Rot. Bonds3

About 2-morpholin-4-yl-5-nitrobenzaldehyde

2-morpholin-4-yl-5-nitrobenzaldehyde (PubChem CID 2794872) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitrobenzaldehyde.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitrobenzaldehyde
PubChem CID2794872
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-morpholin-4-yl-5-nitrobenzaldehyde
SMILESO=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C11H12N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2
InChIKeyPCGDWIWUQDHQLK-UHFFFAOYSA-N
XLogP1.24
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-5-nitrobenzaldehyde
CID 122652817
5-nitro-2-(4-propan-2-ylpiperidin-1-yl)benzaldehyde
CID 103497725
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
4,4-dimethyl-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-oxopentanenitrile
CID 5124148
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
1-(2,6-dichlorophenyl)-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]methanamine
CID 19060190
(5Z)-5-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126015358
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
1-ethyl-3-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]thiourea
CID 126377027
(Z)-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)-N-phenylprop-2-enamide
CID 126008290
N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 3939730

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitrobenzaldehyde?
The IUPAC name of 2-morpholin-4-yl-5-nitrobenzaldehyde (CID 2794872) is 2-morpholin-4-yl-5-nitrobenzaldehyde.
What is the SMILES notation for 2-morpholin-4-yl-5-nitrobenzaldehyde?
The canonical SMILES for 2-morpholin-4-yl-5-nitrobenzaldehyde is O=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitrobenzaldehyde?
The InChIKey is PCGDWIWUQDHQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-8-9-7-10(13(15)16)1-2-11(9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2.
What are the key properties of 2-morpholin-4-yl-5-nitrobenzaldehyde?
2-morpholin-4-yl-5-nitrobenzaldehyde has a molecular weight of 236.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitrobenzaldehyde is sourced from PubChem (CID 2794872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).