2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium

C4H12N2OP+ — CID 173468772

IUPAC2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium
SMILESCN1CCN[P+]1(C)O
InChIInChI=1S/C4H12N2OP/c1-6-4-3-5-8(6,2)7/h5,7H,3-4H2,1-2H3/q+1
InChIKeyLJKXUVXQYFHVHI-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.09
Rot. Bonds

About 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium

2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium (PubChem CID 173468772) has the molecular formula C4H12N2OP+ and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium.

Molecular Properties

Compound Name2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium
PubChem CID173468772
Molecular FormulaC4H12N2OP+
Molecular Weight135.13 g/mol
Exact Mass135.07
IUPAC Name2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium
SMILESCN1CCN[P+]1(C)O
InChIInChI=1S/C4H12N2OP/c1-6-4-3-5-8(6,2)7/h5,7H,3-4H2,1-2H3/q+1
InChIKeyLJKXUVXQYFHVHI-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium?
The IUPAC name of 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium (CID 173468772) is 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium.
What is the SMILES notation for 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium?
The canonical SMILES for 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium is CN1CCN[P+]1(C)O.
What is the InChIKey of 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium?
The InChIKey is LJKXUVXQYFHVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2OP/c1-6-4-3-5-8(6,2)7/h5,7H,3-4H2,1-2H3/q+1.
What are the key properties of 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium?
2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium has a molecular weight of 135.13 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium is sourced from PubChem (CID 173468772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).