4-(1-nitropyrrol-2-yl)morpholine

C8H11N3O3 — CID 141110288

IUPAC4-(1-nitropyrrol-2-yl)morpholine
SMILESO=[N+]([O-])n1cccc1N1CCOCC1
InChIInChI=1S/C8H11N3O3/c12-11(13)10-3-1-2-8(10)9-4-6-14-7-5-9/h1-3H,4-7H2
InChIKeyHPNVHVNGGPQIBX-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.36
Rot. Bonds2

About 4-(1-nitropyrrol-2-yl)morpholine

4-(1-nitropyrrol-2-yl)morpholine (PubChem CID 141110288) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(1-nitropyrrol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1-nitropyrrol-2-yl)morpholine
PubChem CID141110288
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(1-nitropyrrol-2-yl)morpholine
SMILESO=[N+]([O-])n1cccc1N1CCOCC1
InChIInChI=1S/C8H11N3O3/c12-11(13)10-3-1-2-8(10)9-4-6-14-7-5-9/h1-3H,4-7H2
InChIKeyHPNVHVNGGPQIBX-UHFFFAOYSA-N
XLogP0.36
TPSA60.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-(4-nitrophenyl)selanylmorpholine
CID 23279168
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
4-(2,3-difluoro-4-nitrophenyl)morpholine
CID 58072318
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
CID 173213959
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385

Frequently Asked Questions

What is the IUPAC name of 4-(1-nitropyrrol-2-yl)morpholine?
The IUPAC name of 4-(1-nitropyrrol-2-yl)morpholine (CID 141110288) is 4-(1-nitropyrrol-2-yl)morpholine.
What is the SMILES notation for 4-(1-nitropyrrol-2-yl)morpholine?
The canonical SMILES for 4-(1-nitropyrrol-2-yl)morpholine is O=[N+]([O-])n1cccc1N1CCOCC1.
What is the InChIKey of 4-(1-nitropyrrol-2-yl)morpholine?
The InChIKey is HPNVHVNGGPQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-11(13)10-3-1-2-8(10)9-4-6-14-7-5-9/h1-3H,4-7H2.
What are the key properties of 4-(1-nitropyrrol-2-yl)morpholine?
4-(1-nitropyrrol-2-yl)morpholine has a molecular weight of 197.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-nitropyrrol-2-yl)morpholine is sourced from PubChem (CID 141110288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).