4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine

C14H15N3O3 — CID 7150387

IUPAC4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine
SMILESO=[N+]([O-])c1cc(-n2cccc2)ccc1N1CCOCC1
InChIInChI=1S/C14H15N3O3/c18-17(19)14-11-12(15-5-1-2-6-15)3-4-13(14)16-7-9-20-10-8-16/h1-6,11H,7-10H2
InChIKeyGBGMZYWREDNOEC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.22
Rot. Bonds3

About 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine

4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine (PubChem CID 7150387) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine
PubChem CID7150387
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine
SMILESO=[N+]([O-])c1cc(-n2cccc2)ccc1N1CCOCC1
InChIInChI=1S/C14H15N3O3/c18-17(19)14-11-12(15-5-1-2-6-15)3-4-13(14)16-7-9-20-10-8-16/h1-6,11H,7-10H2
InChIKeyGBGMZYWREDNOEC-UHFFFAOYSA-N
XLogP2.22
TPSA60.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.22
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine?
The IUPAC name of 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine (CID 7150387) is 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine?
The canonical SMILES for 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine is O=[N+]([O-])c1cc(-n2cccc2)ccc1N1CCOCC1.
What is the InChIKey of 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine?
The InChIKey is GBGMZYWREDNOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-17(19)14-11-12(15-5-1-2-6-15)3-4-13(14)16-7-9-20-10-8-16/h1-6,11H,7-10H2.
What are the key properties of 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine?
4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine has a molecular weight of 273.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-4-pyrrol-1-ylphenyl)morpholine is sourced from PubChem (CID 7150387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).