CID 58126669

C11H16N2O2 — CID 58126669

IUPAC—
SMILES[CH]CCc1ccn(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-5-6-9-7-8-13(12-9)10(14)15-11(2,3)4/h1,7-8H,5-6H2,2-4H3
InChIKeyOSSNXNOAHRDPDC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.31
Rot. Bonds2

About CID 58126669

CID 58126669 (PubChem CID 58126669) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol.

Molecular Properties

Compound NameCID 58126669
PubChem CID58126669
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name—
SMILES[CH]CCc1ccn(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-5-6-9-7-8-13(12-9)10(14)15-11(2,3)4/h1,7-8H,5-6H2,2-4H3
InChIKeyOSSNXNOAHRDPDC-UHFFFAOYSA-N
XLogP2.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58126669?
The IUPAC name of CID 58126669 (CID 58126669) is not available.
What is the SMILES notation for CID 58126669?
The canonical SMILES for CID 58126669 is [CH]CCc1ccn(C(=O)OC(C)(C)C)n1.
What is the InChIKey of CID 58126669?
The InChIKey is OSSNXNOAHRDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-6-9-7-8-13(12-9)10(14)15-11(2,3)4/h1,7-8H,5-6H2,2-4H3.
What are the key properties of CID 58126669?
CID 58126669 has a molecular weight of 208.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58126669 is sourced from PubChem (CID 58126669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).