CID 159483209

C5H11NNaO3P+ — CID 159483209

IUPAC—
SMILESCCON=CCCO[PH+]=O.[Na]
InChIInChI=1S/C5H11NO3P.Na/c1-2-8-6-4-3-5-9-10-7;/h4,10H,2-3,5H2,1H3;/q+1;
InChIKeyWOUHJZIRUMQCKW-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.97
Rot. Bonds6

About CID 159483209

CID 159483209 (PubChem CID 159483209) has the molecular formula C5H11NNaO3P+ and a molecular weight of 187.11 g/mol.

Molecular Properties

Compound NameCID 159483209
PubChem CID159483209
Molecular FormulaC5H11NNaO3P+
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name—
SMILESCCON=CCCO[PH+]=O.[Na]
InChIInChI=1S/C5H11NO3P.Na/c1-2-8-6-4-3-5-9-10-7;/h4,10H,2-3,5H2,1H3;/q+1;
InChIKeyWOUHJZIRUMQCKW-UHFFFAOYSA-N
XLogP0.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 159483209?
The IUPAC name of CID 159483209 (CID 159483209) is not available.
What is the SMILES notation for CID 159483209?
The canonical SMILES for CID 159483209 is CCON=CCCO[PH+]=O.[Na].
What is the InChIKey of CID 159483209?
The InChIKey is WOUHJZIRUMQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3P.Na/c1-2-8-6-4-3-5-9-10-7;/h4,10H,2-3,5H2,1H3;/q+1;.
What are the key properties of CID 159483209?
CID 159483209 has a molecular weight of 187.11 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159483209 is sourced from PubChem (CID 159483209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).