4-(2,4,6-trinitrophenyl)morpholine

C10H10N4O7 — CID 3103777

IUPAC4-(2,4,6-trinitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O7/c15-12(16)7-5-8(13(17)18)10(9(6-7)14(19)20)11-1-3-21-4-2-11/h5-6H,1-4H2
InChIKeyCPZXPDQTMDRNBY-UHFFFAOYSA-N
MW298.21 g/mol
LogP1.25
Rot. Bonds4

About 4-(2,4,6-trinitrophenyl)morpholine

4-(2,4,6-trinitrophenyl)morpholine (PubChem CID 3103777) has the molecular formula C10H10N4O7 and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-(2,4,6-trinitrophenyl)morpholine.

Molecular Properties

Compound Name4-(2,4,6-trinitrophenyl)morpholine
PubChem CID3103777
Molecular FormulaC10H10N4O7
Molecular Weight298.21 g/mol
Exact Mass298.05
IUPAC Name4-(2,4,6-trinitrophenyl)morpholine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O7/c15-12(16)7-5-8(13(17)18)10(9(6-7)14(19)20)11-1-3-21-4-2-11/h5-6H,1-4H2
InChIKeyCPZXPDQTMDRNBY-UHFFFAOYSA-N
XLogP1.25
TPSA141.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

HC Blue 1
CID 17734
HC Blue 2
CID 36383
HC Red 3
CID 3465817
4-(4-Nitrophenyl)morpholine
CID 25222
5-(4-Methylpiperazin-1-yl)-2-nitroaniline
CID 2760034
1-(2,4-Dinitrophenyl)piperidine
CID 225454
N,N-Diethyl-2,4-dinitroaniline
CID 70045
N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine
CID 5488740
1,4-Dimethyl-6-(4-morpholinyl)-7-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 2992790
(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
2-Nitro-5-(1-piperazinyl)aniline
CID 602112
4-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trinitrophenyl)morpholine?
The IUPAC name of 4-(2,4,6-trinitrophenyl)morpholine (CID 3103777) is 4-(2,4,6-trinitrophenyl)morpholine.
What is the SMILES notation for 4-(2,4,6-trinitrophenyl)morpholine?
The canonical SMILES for 4-(2,4,6-trinitrophenyl)morpholine is O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,4,6-trinitrophenyl)morpholine?
The InChIKey is CPZXPDQTMDRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O7/c15-12(16)7-5-8(13(17)18)10(9(6-7)14(19)20)11-1-3-21-4-2-11/h5-6H,1-4H2.
What are the key properties of 4-(2,4,6-trinitrophenyl)morpholine?
4-(2,4,6-trinitrophenyl)morpholine has a molecular weight of 298.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trinitrophenyl)morpholine is sourced from PubChem (CID 3103777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).