CID 87751849

C15H31NNaO2 — CID 87751849

IUPAC—
SMILESCCCCCCCCCC(CC)NOC(=O)CC.[Na]
InChIInChI=1S/C15H31NO2.Na/c1-4-7-8-9-10-11-12-13-14(5-2)16-18-15(17)6-3;/h14,16H,4-13H2,1-3H3;
InChIKeyZGFFRBOJKCLILZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.98
Rot. Bonds12

About CID 87751849

CID 87751849 (PubChem CID 87751849) has the molecular formula C15H31NNaO2 and a molecular weight of 280.41 g/mol.

Molecular Properties

Compound NameCID 87751849
PubChem CID87751849
Molecular FormulaC15H31NNaO2
Molecular Weight280.41 g/mol
Exact Mass280.23
IUPAC Name—
SMILESCCCCCCCCCC(CC)NOC(=O)CC.[Na]
InChIInChI=1S/C15H31NO2.Na/c1-4-7-8-9-10-11-12-13-14(5-2)16-18-15(17)6-3;/h14,16H,4-13H2,1-3H3;
InChIKeyZGFFRBOJKCLILZ-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87751849?
The IUPAC name of CID 87751849 (CID 87751849) is not available.
What is the SMILES notation for CID 87751849?
The canonical SMILES for CID 87751849 is CCCCCCCCCC(CC)NOC(=O)CC.[Na].
What is the InChIKey of CID 87751849?
The InChIKey is ZGFFRBOJKCLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.Na/c1-4-7-8-9-10-11-12-13-14(5-2)16-18-15(17)6-3;/h14,16H,4-13H2,1-3H3;.
What are the key properties of CID 87751849?
CID 87751849 has a molecular weight of 280.41 g/mol, XLogP of 3.98, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87751849 is sourced from PubChem (CID 87751849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).