1-nitroazetidin-3-ol

C3H6N2O3 — CID 10701814

IUPAC1-nitroazetidin-3-ol
SMILESO=[N+]([O-])N1CC(O)C1
InChIInChI=1S/C3H6N2O3/c6-3-1-4(2-3)5(7)8/h3,6H,1-2H2
InChIKeyCZMOGEXCDFYJGV-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.15
Rot. Bonds1

About 1-nitroazetidin-3-ol

1-nitroazetidin-3-ol (PubChem CID 10701814) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is 1-nitroazetidin-3-ol.

Molecular Properties

Compound Name1-nitroazetidin-3-ol
PubChem CID10701814
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name1-nitroazetidin-3-ol
SMILESO=[N+]([O-])N1CC(O)C1
InChIInChI=1S/C3H6N2O3/c6-3-1-4(2-3)5(7)8/h3,6H,1-2H2
InChIKeyCZMOGEXCDFYJGV-UHFFFAOYSA-N
XLogP-1.15
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-nitropiperidin-4-ol
CID 141406661
1-(1-nitroethyl)azetidin-3-ol
CID 141210925
1,3,5-trinitro-7-nitroso-1,3,5,7-tetrazocane
CID 21093324
2-methyl-1,4-dinitropiperazine
CID 53424650
(3-hydroxyazetidin-1-yl)-(5-nitro-1H-pyrrol-2-yl)methanone
CID 63105654
1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
CID 63282386
1,5-dinitro-1,5-diazocane-3,7-dione
CID 10681055
1-nitro-3,6-dihydro-2H-pyridine
CID 141406660
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
(3-hydroxyazetidin-1-yl)-(3-iodo-5-nitrophenyl)methanone
CID 75437389
1-methylpiperidin-4-ol;nitric acid
CID 69230508
3-ethyl-1-nitropiperidine
CID 89414391

Frequently Asked Questions

What is the IUPAC name of 1-nitroazetidin-3-ol?
The IUPAC name of 1-nitroazetidin-3-ol (CID 10701814) is 1-nitroazetidin-3-ol.
What is the SMILES notation for 1-nitroazetidin-3-ol?
The canonical SMILES for 1-nitroazetidin-3-ol is O=[N+]([O-])N1CC(O)C1.
What is the InChIKey of 1-nitroazetidin-3-ol?
The InChIKey is CZMOGEXCDFYJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c6-3-1-4(2-3)5(7)8/h3,6H,1-2H2.
What are the key properties of 1-nitroazetidin-3-ol?
1-nitroazetidin-3-ol has a molecular weight of 118.09 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroazetidin-3-ol is sourced from PubChem (CID 10701814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).