(2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite

C8H16N2O2 — CID 141235223

IUPAC(2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite
SMILESCC1(C)CCC(C)(C)N1ON=O
InChIInChI=1S/C8H16N2O2/c1-7(2)5-6-8(3,4)10(7)12-9-11/h5-6H2,1-4H3
InChIKeyLRRLJRJHPNIOQM-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.25
Rot. Bonds2

About (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite

(2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite (PubChem CID 141235223) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite.

Molecular Properties

Compound Name(2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite
PubChem CID141235223
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite
SMILESCC1(C)CCC(C)(C)N1ON=O
InChIInChI=1S/C8H16N2O2/c1-7(2)5-6-8(3,4)10(7)12-9-11/h5-6H2,1-4H3
InChIKeyLRRLJRJHPNIOQM-UHFFFAOYSA-N
XLogP2.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite?
The IUPAC name of (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite (CID 141235223) is (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite.
What is the SMILES notation for (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite?
The canonical SMILES for (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite is CC1(C)CCC(C)(C)N1ON=O.
What is the InChIKey of (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite?
The InChIKey is LRRLJRJHPNIOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(2)5-6-8(3,4)10(7)12-9-11/h5-6H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite?
(2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite has a molecular weight of 172.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethylpyrrolidin-1-yl) nitrite is sourced from PubChem (CID 141235223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).