3-methyl-3-(3-nitropropyl)oxetane

C7H13NO3 — CID 163827364

IUPAC3-methyl-3-(3-nitropropyl)oxetane
SMILESCC1(CCC[N+](=O)[O-])COC1
InChIInChI=1S/C7H13NO3/c1-7(5-11-6-7)3-2-4-8(9)10/h2-6H2,1H3
InChIKeyOAQTUUBOQMLNER-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.08
Rot. Bonds4

About 3-methyl-3-(3-nitropropyl)oxetane

3-methyl-3-(3-nitropropyl)oxetane (PubChem CID 163827364) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-methyl-3-(3-nitropropyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(3-nitropropyl)oxetane
PubChem CID163827364
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-methyl-3-(3-nitropropyl)oxetane
SMILESCC1(CCC[N+](=O)[O-])COC1
InChIInChI=1S/C7H13NO3/c1-7(5-11-6-7)3-2-4-8(9)10/h2-6H2,1H3
InChIKeyOAQTUUBOQMLNER-UHFFFAOYSA-N
XLogP1.08
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methyl-3-(3-nitropropyl)oxetane?
The IUPAC name of 3-methyl-3-(3-nitropropyl)oxetane (CID 163827364) is 3-methyl-3-(3-nitropropyl)oxetane.
What is the SMILES notation for 3-methyl-3-(3-nitropropyl)oxetane?
The canonical SMILES for 3-methyl-3-(3-nitropropyl)oxetane is CC1(CCC[N+](=O)[O-])COC1.
What is the InChIKey of 3-methyl-3-(3-nitropropyl)oxetane?
The InChIKey is OAQTUUBOQMLNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(5-11-6-7)3-2-4-8(9)10/h2-6H2,1H3.
What are the key properties of 3-methyl-3-(3-nitropropyl)oxetane?
3-methyl-3-(3-nitropropyl)oxetane has a molecular weight of 159.18 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-nitropropyl)oxetane is sourced from PubChem (CID 163827364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).