CID 58699792

C10H18NO2Y- — CID 58699792

IUPAC—
SMILESC[C-]1C(C)N(C)CC12OCCCO2.[Y]
InChIInChI=1S/C10H18NO2.Y/c1-8-9(2)11(3)7-10(8)12-5-4-6-13-10;/h9H,4-7H2,1-3H3;/q-1;
InChIKeyYJVVSSQXHWEZSR-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.05
Rot. Bonds

About CID 58699792

CID 58699792 (PubChem CID 58699792) has the molecular formula C10H18NO2Y- and a molecular weight of 273.17 g/mol.

Molecular Properties

Compound NameCID 58699792
PubChem CID58699792
Molecular FormulaC10H18NO2Y-
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name—
SMILESC[C-]1C(C)N(C)CC12OCCCO2.[Y]
InChIInChI=1S/C10H18NO2.Y/c1-8-9(2)11(3)7-10(8)12-5-4-6-13-10;/h9H,4-7H2,1-3H3;/q-1;
InChIKeyYJVVSSQXHWEZSR-UHFFFAOYSA-N
XLogP1.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58699792?
The IUPAC name of CID 58699792 (CID 58699792) is not available.
What is the SMILES notation for CID 58699792?
The canonical SMILES for CID 58699792 is C[C-]1C(C)N(C)CC12OCCCO2.[Y].
What is the InChIKey of CID 58699792?
The InChIKey is YJVVSSQXHWEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2.Y/c1-8-9(2)11(3)7-10(8)12-5-4-6-13-10;/h9H,4-7H2,1-3H3;/q-1;.
What are the key properties of CID 58699792?
CID 58699792 has a molecular weight of 273.17 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699792 is sourced from PubChem (CID 58699792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).