CID 90983742

C11H16N2O2+2 — CID 90983742

IUPAC—
SMILES[CH2+]c1c(C)nc(CC)c(C(=O)OC)[n+]1C
InChIInChI=1S/C11H16N2O2/c1-6-9-10(11(14)15-5)13(4)8(3)7(2)12-9/h3,6H2,1-2,4-5H3/q+2
InChIKeyDWMPKAKBVFTXPT-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds2

About CID 90983742

CID 90983742 (PubChem CID 90983742) has the molecular formula C11H16N2O2+2 and a molecular weight of 208.26 g/mol.

Molecular Properties

Compound NameCID 90983742
PubChem CID90983742
Molecular FormulaC11H16N2O2+2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name—
SMILES[CH2+]c1c(C)nc(CC)c(C(=O)OC)[n+]1C
InChIInChI=1S/C11H16N2O2/c1-6-9-10(11(14)15-5)13(4)8(3)7(2)12-9/h3,6H2,1-2,4-5H3/q+2
InChIKeyDWMPKAKBVFTXPT-UHFFFAOYSA-N
XLogP0.75
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90983742?
The IUPAC name of CID 90983742 (CID 90983742) is not available.
What is the SMILES notation for CID 90983742?
The canonical SMILES for CID 90983742 is [CH2+]c1c(C)nc(CC)c(C(=O)OC)[n+]1C.
What is the InChIKey of CID 90983742?
The InChIKey is DWMPKAKBVFTXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-9-10(11(14)15-5)13(4)8(3)7(2)12-9/h3,6H2,1-2,4-5H3/q+2.
What are the key properties of CID 90983742?
CID 90983742 has a molecular weight of 208.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90983742 is sourced from PubChem (CID 90983742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).