CID 10081324

C6H13NO4P — CID 10081324

IUPAC—
SMILESCCOP(=O)(OCC)/C(C)=N/[O]
InChIInChI=1S/C6H13NO4P/c1-4-10-12(9,11-5-2)6(3)7-8/h4-5H2,1-3H3/b7-6+
InChIKeyBEHIUDWHIFYJJS-VOTSOKGWSA-N
MW194.15 g/mol
LogP2.02
Rot. Bonds5

About CID 10081324

CID 10081324 (PubChem CID 10081324) has the molecular formula C6H13NO4P and a molecular weight of 194.15 g/mol.

Molecular Properties

Compound NameCID 10081324
PubChem CID10081324
Molecular FormulaC6H13NO4P
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name—
SMILESCCOP(=O)(OCC)/C(C)=N/[O]
InChIInChI=1S/C6H13NO4P/c1-4-10-12(9,11-5-2)6(3)7-8/h4-5H2,1-3H3/b7-6+
InChIKeyBEHIUDWHIFYJJS-VOTSOKGWSA-N
XLogP2.02
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10081324?
The IUPAC name of CID 10081324 (CID 10081324) is not available.
What is the SMILES notation for CID 10081324?
The canonical SMILES for CID 10081324 is CCOP(=O)(OCC)/C(C)=N/[O].
What is the InChIKey of CID 10081324?
The InChIKey is BEHIUDWHIFYJJS-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO4P/c1-4-10-12(9,11-5-2)6(3)7-8/h4-5H2,1-3H3/b7-6+.
What are the key properties of CID 10081324?
CID 10081324 has a molecular weight of 194.15 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10081324 is sourced from PubChem (CID 10081324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).