2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine

C14H15N3O3 — CID 175283912

IUPAC2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2cc(C3CNCCO3)c[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c18-17(19)12-3-1-10(2-4-12)13-7-11(8-16-13)14-9-15-5-6-20-14/h1-4,7-8,14-16H,5-6,9H2
InChIKeyIYSCOZGAAZBMHK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.25
Rot. Bonds3

About 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine

2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine (PubChem CID 175283912) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine
PubChem CID175283912
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2cc(C3CNCCO3)c[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c18-17(19)12-3-1-10(2-4-12)13-7-11(8-16-13)14-9-15-5-6-20-14/h1-4,7-8,14-16H,5-6,9H2
InChIKeyIYSCOZGAAZBMHK-UHFFFAOYSA-N
XLogP2.25
TPSA80.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174523685
2-(3,4-difluoro-5-nitrophenyl)morpholine
CID 117361894
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434034
azane;2-phenylmorpholine
CID 174664757
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
2-[3-(4-nitrophenoxy)propyl]morpholine
CID 22012898
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
[(2R)-morpholin-2-yl]methyl 4-nitrobenzoate
CID 66663133

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine?
The IUPAC name of 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine (CID 175283912) is 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine?
The canonical SMILES for 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine is O=[N+]([O-])c1ccc(-c2cc(C3CNCCO3)c[nH]2)cc1.
What is the InChIKey of 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine?
The InChIKey is IYSCOZGAAZBMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-17(19)12-3-1-10(2-4-12)13-7-11(8-16-13)14-9-15-5-6-20-14/h1-4,7-8,14-16H,5-6,9H2.
What are the key properties of 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine?
2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine has a molecular weight of 273.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-nitrophenyl)-1H-pyrrol-3-yl]morpholine is sourced from PubChem (CID 175283912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).