CID 175756974

C7H13NNaO3 — CID 175756974

IUPAC—
SMILESC=CCOC1NCCOC1O.[Na]
InChIInChI=1S/C7H13NO3.Na/c1-2-4-10-6-7(9)11-5-3-8-6;/h2,6-9H,1,3-5H2;
InChIKeyKBOXHRGHSZCLBM-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.93
Rot. Bonds3

About CID 175756974

CID 175756974 (PubChem CID 175756974) has the molecular formula C7H13NNaO3 and a molecular weight of 182.17 g/mol.

Molecular Properties

Compound NameCID 175756974
PubChem CID175756974
Molecular FormulaC7H13NNaO3
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name—
SMILESC=CCOC1NCCOC1O.[Na]
InChIInChI=1S/C7H13NO3.Na/c1-2-4-10-6-7(9)11-5-3-8-6;/h2,6-9H,1,3-5H2;
InChIKeyKBOXHRGHSZCLBM-UHFFFAOYSA-N
XLogP-0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175756974?
The IUPAC name of CID 175756974 (CID 175756974) is not available.
What is the SMILES notation for CID 175756974?
The canonical SMILES for CID 175756974 is C=CCOC1NCCOC1O.[Na].
What is the InChIKey of CID 175756974?
The InChIKey is KBOXHRGHSZCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.Na/c1-2-4-10-6-7(9)11-5-3-8-6;/h2,6-9H,1,3-5H2;.
What are the key properties of CID 175756974?
CID 175756974 has a molecular weight of 182.17 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175756974 is sourced from PubChem (CID 175756974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).