1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol

C8H10N2O4 — CID 63282386

IUPAC1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
SMILESO=[N+]([O-])c1ccc(CN2CC(O)C2)o1
InChIInChI=1S/C8H10N2O4/c11-6-3-9(4-6)5-7-1-2-8(14-7)10(12)13/h1-2,6,11H,3-5H2
InChIKeyCBOIOTZKYMANST-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.36
Rot. Bonds3

About 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol

1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol (PubChem CID 63282386) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
PubChem CID63282386
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
SMILESO=[N+]([O-])c1ccc(CN2CC(O)C2)o1
InChIInChI=1S/C8H10N2O4/c11-6-3-9(4-6)5-7-1-2-8(14-7)10(12)13/h1-2,6,11H,3-5H2
InChIKeyCBOIOTZKYMANST-UHFFFAOYSA-N
XLogP0.36
TPSA79.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
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)methyl]pyrrolidine-3-carboxylic acid
CID 63031711
1-[(5-nitrofuran-2-yl)methyl]piperazine
CID 43143138
1-[1-[(5-nitrofuran-2-yl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311718
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
3-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218057
2-methyl-2-[1-[(5-nitrofuran-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83200227
ethyl 1-[(5-nitrofuran-2-yl)methyl]piperidine-4-carboxylate
CID 791307
3-methyl-1-[(5-nitrofuran-2-yl)methyl]piperidine-3-carboxylic acid
CID 63137556
(5-nitrofuran-2-yl)methanamine
CID 13211642
1-(1-ethylpyrrolidin-3-yl)-N-[(5-nitrofuran-2-yl)methyl]methanamine
CID 54927681
1-[(5-nitrofuran-2-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 63936391
(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-ol
CID 7443091

Frequently Asked Questions

What is the IUPAC name of 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol (CID 63282386) is 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol is O=[N+]([O-])c1ccc(CN2CC(O)C2)o1.
What is the InChIKey of 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol?
The InChIKey is CBOIOTZKYMANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6-3-9(4-6)5-7-1-2-8(14-7)10(12)13/h1-2,6,11H,3-5H2.
What are the key properties of 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol?
1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol has a molecular weight of 198.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol is sourced from PubChem (CID 63282386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).