1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine

C7H15N3O3 — CID 70230496

IUPAC1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine
SMILESCC1(C)CN(O)C(C)(C)N1[N+](=O)[O-]
InChIInChI=1S/C7H15N3O3/c1-6(2)5-8(11)7(3,4)9(6)10(12)13/h11H,5H2,1-4H3
InChIKeyYQRZDLHIDZTOGL-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.70
Rot. Bonds1

About 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine

1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine (PubChem CID 70230496) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine.

Molecular Properties

Compound Name1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine
PubChem CID70230496
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine
SMILESCC1(C)CN(O)C(C)(C)N1[N+](=O)[O-]
InChIInChI=1S/C7H15N3O3/c1-6(2)5-8(11)7(3,4)9(6)10(12)13/h11H,5H2,1-4H3
InChIKeyYQRZDLHIDZTOGL-UHFFFAOYSA-N
XLogP0.70
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine?
The IUPAC name of 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine (CID 70230496) is 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine.
What is the SMILES notation for 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine?
The canonical SMILES for 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine is CC1(C)CN(O)C(C)(C)N1[N+](=O)[O-].
What is the InChIKey of 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine?
The InChIKey is YQRZDLHIDZTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-6(2)5-8(11)7(3,4)9(6)10(12)13/h11H,5H2,1-4H3.
What are the key properties of 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine?
1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine has a molecular weight of 189.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,4,4-tetramethyl-3-nitroimidazolidine is sourced from PubChem (CID 70230496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).