1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide

C3H8N2OP+ — CID 154362537

IUPAC1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide
SMILESCN1CCN[P+]1=O
InChIInChI=1S/C3H8N2OP/c1-5-3-2-4-7(5)6/h2-3H2,1H3,(H,4,6)/q+1
InChIKeyFGUGHVFQVUMKGR-UHFFFAOYSA-N
MW119.08 g/mol
LogP0.18
Rot. Bonds

About 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide

1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide (PubChem CID 154362537) has the molecular formula C3H8N2OP+ and a molecular weight of 119.08 g/mol. Its IUPAC name is 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide.

Molecular Properties

Compound Name1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide
PubChem CID154362537
Molecular FormulaC3H8N2OP+
Molecular Weight119.08 g/mol
Exact Mass119.04
IUPAC Name1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide
SMILESCN1CCN[P+]1=O
InChIInChI=1S/C3H8N2OP/c1-5-3-2-4-7(5)6/h2-3H2,1H3,(H,4,6)/q+1
InChIKeyFGUGHVFQVUMKGR-UHFFFAOYSA-N
XLogP0.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-1,3,2lambda5-diazaphospholidin-2-amine
CID 21564679
2-Methyl-1,3,2lambda5-diazaphospholidine 2-oxide
CID 85702061
2-Hydroxy-1-methyl-1,3,2lambda5-diazaphospholidine 2-oxide
CID 89263058
1-Methyl-1,3,2-diazaphospholidine
CID 141315249
2-Oxo-1,3,2lambda5-diazaphospholidin-2-amine
CID 141779163
N-methyl-N'-phosphorosoethane-1,2-diamine
CID 163531883
2-Hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium
CID 173468772

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
The IUPAC name of 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide (CID 154362537) is 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide.
What is the SMILES notation for 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
The canonical SMILES for 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide is CN1CCN[P+]1=O.
What is the InChIKey of 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
The InChIKey is FGUGHVFQVUMKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OP/c1-5-3-2-4-7(5)6/h2-3H2,1H3,(H,4,6)/q+1.
What are the key properties of 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide?
1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide has a molecular weight of 119.08 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,2-diazaphospholidin-2-ium 2-oxide is sourced from PubChem (CID 154362537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).