(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate

C10H19N3O5 — CID 123872105

IUPAC(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
SMILESCC1(C)C(CO[N+](=O)[O-])C(NC=O)C(C)(C)N1O
InChIInChI=1S/C10H19N3O5/c1-9(2)7(5-18-13(16)17)8(11-6-14)10(3,4)12(9)15/h6-8,15H,5H2,1-4H3,(H,11,14)
InChIKeyNSGWULXYBXDKKO-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.19
Rot. Bonds5

About (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate

(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate (PubChem CID 123872105) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate.

Molecular Properties

Compound Name(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
PubChem CID123872105
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
SMILESCC1(C)C(CO[N+](=O)[O-])C(NC=O)C(C)(C)N1O
InChIInChI=1S/C10H19N3O5/c1-9(2)7(5-18-13(16)17)8(11-6-14)10(3,4)12(9)15/h6-8,15H,5H2,1-4H3,(H,11,14)
InChIKeyNSGWULXYBXDKKO-UHFFFAOYSA-N
XLogP0.19
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate?
The IUPAC name of (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate (CID 123872105) is (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate.
What is the SMILES notation for (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate?
The canonical SMILES for (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate is CC1(C)C(CO[N+](=O)[O-])C(NC=O)C(C)(C)N1O.
What is the InChIKey of (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate?
The InChIKey is NSGWULXYBXDKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-9(2)7(5-18-13(16)17)8(11-6-14)10(3,4)12(9)15/h6-8,15H,5H2,1-4H3,(H,11,14).
What are the key properties of (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate?
(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate has a molecular weight of 261.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate is sourced from PubChem (CID 123872105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).