2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium

C10H15N2O5P+2 — CID 89474133

IUPAC2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium
SMILESNC(=O)OCCO[P+](=O)OCC[n+]1ccccc1
InChIInChI=1S/C10H14N2O5P/c11-10(13)15-8-9-17-18(14)16-7-6-12-4-2-1-3-5-12/h1-5H,6-9H2,(H-,11,13)/q+1/p+1
InChIKeyFNXAYKOHXJWJIU-UHFFFAOYSA-O
MW274.21 g/mol
LogP0.76
Rot. Bonds8

About 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium

2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium (PubChem CID 89474133) has the molecular formula C10H15N2O5P+2 and a molecular weight of 274.21 g/mol. Its IUPAC name is 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium.

Molecular Properties

Compound Name2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium
PubChem CID89474133
Molecular FormulaC10H15N2O5P+2
Molecular Weight274.21 g/mol
Exact Mass274.07
IUPAC Name2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium
SMILESNC(=O)OCCO[P+](=O)OCC[n+]1ccccc1
InChIInChI=1S/C10H14N2O5P/c11-10(13)15-8-9-17-18(14)16-7-6-12-4-2-1-3-5-12/h1-5H,6-9H2,(H-,11,13)/q+1/p+1
InChIKeyFNXAYKOHXJWJIU-UHFFFAOYSA-O
XLogP0.76
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium?
The IUPAC name of 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium (CID 89474133) is 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium.
What is the SMILES notation for 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium?
The canonical SMILES for 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium is NC(=O)OCCO[P+](=O)OCC[n+]1ccccc1.
What is the InChIKey of 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium?
The InChIKey is FNXAYKOHXJWJIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O5P/c11-10(13)15-8-9-17-18(14)16-7-6-12-4-2-1-3-5-12/h1-5H,6-9H2,(H-,11,13)/q+1/p+1.
What are the key properties of 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium?
2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium has a molecular weight of 274.21 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethoxy-oxo-(2-pyridin-1-ium-1-ylethoxy)phosphanium is sourced from PubChem (CID 89474133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).