4-(5-nitrofuran-2-yl)morpholine

C8H10N2O4 — CID 10584092

IUPAC4-(5-nitrofuran-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)o1
InChIInChI=1S/C8H10N2O4/c11-10(12)8-2-1-7(14-8)9-3-5-13-6-4-9/h1-2H,3-6H2
InChIKeyCKWVBMYVQJWULV-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.02
Rot. Bonds2

About 4-(5-nitrofuran-2-yl)morpholine

4-(5-nitrofuran-2-yl)morpholine (PubChem CID 10584092) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(5-nitrofuran-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitrofuran-2-yl)morpholine
PubChem CID10584092
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(5-nitrofuran-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)o1
InChIInChI=1S/C8H10N2O4/c11-10(12)8-2-1-7(14-8)9-3-5-13-6-4-9/h1-2H,3-6H2
InChIKeyCKWVBMYVQJWULV-UHFFFAOYSA-N
XLogP1.02
TPSA68.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(5-Nitrofuran-2-yl)piperidine
CID 134976034
N,N-Dimethyl-5-nitrofuran-2-amine
CID 13109603
N-(5-morpholin-4-ylfuran-2-yl)acetamide
CID 134839151
Nitrofuranyl piperazine
CID 175672779
1-(5-Nitrofuran-2-yl)azirine
CID 20297924
Ethoxycarbonyl-(5-nitrofuran-2-yl)carbamic acid
CID 54050179
N-(2-methoxyethyl)-N-methylfuran-2-amine
CID 67191322
N-tert-butyl-N-methyl-5-nitrofuran-2-amine
CID 68042765
2-(5-Nitrofuran-2-yl)oxazinane
CID 68149856
1-(5-Nitrofuran-2-yl)piperazine;piperazine
CID 69789151
1-(5-Nitrofuran-2-yl)piperazine
CID 69789152
1-(furan-2-yl)-2-nitro-2H-pyridine
CID 70582911

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitrofuran-2-yl)morpholine?
The IUPAC name of 4-(5-nitrofuran-2-yl)morpholine (CID 10584092) is 4-(5-nitrofuran-2-yl)morpholine.
What is the SMILES notation for 4-(5-nitrofuran-2-yl)morpholine?
The canonical SMILES for 4-(5-nitrofuran-2-yl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)o1.
What is the InChIKey of 4-(5-nitrofuran-2-yl)morpholine?
The InChIKey is CKWVBMYVQJWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-10(12)8-2-1-7(14-8)9-3-5-13-6-4-9/h1-2H,3-6H2.
What are the key properties of 4-(5-nitrofuran-2-yl)morpholine?
4-(5-nitrofuran-2-yl)morpholine has a molecular weight of 198.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitrofuran-2-yl)morpholine is sourced from PubChem (CID 10584092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).