4-(5-azido-4-methyl-2-nitrophenyl)morpholine

C11H13N5O3 — CID 150718881

IUPAC4-(5-azido-4-methyl-2-nitrophenyl)morpholine
SMILESCc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N=[N+]=[N-]
InChIInChI=1S/C11H13N5O3/c1-8-6-11(16(17)18)10(7-9(8)13-14-12)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3
InChIKeyJPLHDCLJBCQBBD-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.68
Rot. Bonds3

About 4-(5-azido-4-methyl-2-nitrophenyl)morpholine

4-(5-azido-4-methyl-2-nitrophenyl)morpholine (PubChem CID 150718881) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(5-azido-4-methyl-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(5-azido-4-methyl-2-nitrophenyl)morpholine
PubChem CID150718881
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-(5-azido-4-methyl-2-nitrophenyl)morpholine
SMILESCc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N=[N+]=[N-]
InChIInChI=1S/C11H13N5O3/c1-8-6-11(16(17)18)10(7-9(8)13-14-12)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3
InChIKeyJPLHDCLJBCQBBD-UHFFFAOYSA-N
XLogP2.68
TPSA104.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

1-(5-azido-4-methyl-2-nitrophenyl)-4-methylpiperazine
CID 169325480
1-(5-azido-2,4-dinitrophenyl)piperidine
CID 169326393
(3-azido-4-methyl-5-nitrophenyl)-morpholin-4-ylmethanone
CID 169325446
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
2-(4-methylphenyl)-5-morpholin-4-yl-6-nitroisoindole-1,3-dione
CID 15995995
2-fluoro-5-morpholin-4-yl-4-nitrobenzoic acid
CID 104699515
1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
CID 139034981

Frequently Asked Questions

What is the IUPAC name of 4-(5-azido-4-methyl-2-nitrophenyl)morpholine?
The IUPAC name of 4-(5-azido-4-methyl-2-nitrophenyl)morpholine (CID 150718881) is 4-(5-azido-4-methyl-2-nitrophenyl)morpholine.
What is the SMILES notation for 4-(5-azido-4-methyl-2-nitrophenyl)morpholine?
The canonical SMILES for 4-(5-azido-4-methyl-2-nitrophenyl)morpholine is Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N=[N+]=[N-].
What is the InChIKey of 4-(5-azido-4-methyl-2-nitrophenyl)morpholine?
The InChIKey is JPLHDCLJBCQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-8-6-11(16(17)18)10(7-9(8)13-14-12)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-azido-4-methyl-2-nitrophenyl)morpholine?
4-(5-azido-4-methyl-2-nitrophenyl)morpholine has a molecular weight of 263.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azido-4-methyl-2-nitrophenyl)morpholine is sourced from PubChem (CID 150718881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).