1-(1-nitroethyl)azetidin-3-ol

C5H10N2O3 — CID 141210925

IUPAC1-(1-nitroethyl)azetidin-3-ol
SMILESCC(N1CC(O)C1)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-4(7(9)10)6-2-5(8)3-6/h4-5,8H,2-3H2,1H3
InChIKeyZREHZBMBTYVOGI-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.71
Rot. Bonds2

About 1-(1-nitroethyl)azetidin-3-ol

1-(1-nitroethyl)azetidin-3-ol (PubChem CID 141210925) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-(1-nitroethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1-nitroethyl)azetidin-3-ol
PubChem CID141210925
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name1-(1-nitroethyl)azetidin-3-ol
SMILESCC(N1CC(O)C1)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-4(7(9)10)6-2-5(8)3-6/h4-5,8H,2-3H2,1H3
InChIKeyZREHZBMBTYVOGI-UHFFFAOYSA-N
XLogP-0.71
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-nitroethyl)azetidin-3-ol?
The IUPAC name of 1-(1-nitroethyl)azetidin-3-ol (CID 141210925) is 1-(1-nitroethyl)azetidin-3-ol.
What is the SMILES notation for 1-(1-nitroethyl)azetidin-3-ol?
The canonical SMILES for 1-(1-nitroethyl)azetidin-3-ol is CC(N1CC(O)C1)[N+](=O)[O-].
What is the InChIKey of 1-(1-nitroethyl)azetidin-3-ol?
The InChIKey is ZREHZBMBTYVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(7(9)10)6-2-5(8)3-6/h4-5,8H,2-3H2,1H3.
What are the key properties of 1-(1-nitroethyl)azetidin-3-ol?
1-(1-nitroethyl)azetidin-3-ol has a molecular weight of 146.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nitroethyl)azetidin-3-ol is sourced from PubChem (CID 141210925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).