(2-methylimidazolidin-1-yl)phosphonic acid

C4H11N2O3P — CID 68661392

IUPAC(2-methylimidazolidin-1-yl)phosphonic acid
SMILESCC1NCCN1P(=O)(O)O
InChIInChI=1S/C4H11N2O3P/c1-4-5-2-3-6(4)10(7,8)9/h4-5H,2-3H2,1H3,(H2,7,8,9)
InChIKeyIIDZDLSWYHYQBF-UHFFFAOYSA-N
MW166.12 g/mol
LogP-0.67
Rot. Bonds1

About (2-methylimidazolidin-1-yl)phosphonic acid

(2-methylimidazolidin-1-yl)phosphonic acid (PubChem CID 68661392) has the molecular formula C4H11N2O3P and a molecular weight of 166.12 g/mol. Its IUPAC name is (2-methylimidazolidin-1-yl)phosphonic acid.

Molecular Properties

Compound Name(2-methylimidazolidin-1-yl)phosphonic acid
PubChem CID68661392
Molecular FormulaC4H11N2O3P
Molecular Weight166.12 g/mol
Exact Mass166.05
IUPAC Name(2-methylimidazolidin-1-yl)phosphonic acid
SMILESCC1NCCN1P(=O)(O)O
InChIInChI=1S/C4H11N2O3P/c1-4-5-2-3-6(4)10(7,8)9/h4-5H,2-3H2,1H3,(H2,7,8,9)
InChIKeyIIDZDLSWYHYQBF-UHFFFAOYSA-N
XLogP-0.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-methylimidazolidin-1-yl)phosphonic acid?
The IUPAC name of (2-methylimidazolidin-1-yl)phosphonic acid (CID 68661392) is (2-methylimidazolidin-1-yl)phosphonic acid.
What is the SMILES notation for (2-methylimidazolidin-1-yl)phosphonic acid?
The canonical SMILES for (2-methylimidazolidin-1-yl)phosphonic acid is CC1NCCN1P(=O)(O)O.
What is the InChIKey of (2-methylimidazolidin-1-yl)phosphonic acid?
The InChIKey is IIDZDLSWYHYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2O3P/c1-4-5-2-3-6(4)10(7,8)9/h4-5H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of (2-methylimidazolidin-1-yl)phosphonic acid?
(2-methylimidazolidin-1-yl)phosphonic acid has a molecular weight of 166.12 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazolidin-1-yl)phosphonic acid is sourced from PubChem (CID 68661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).