CID 58679892

C11H20N2O2 — CID 58679892

IUPAC—
SMILES[CH]N(C)CCC(NCC(C)=O)C(=O)CC
InChIInChI=1S/C11H20N2O2/c1-5-11(15)10(6-7-13(3)4)12-8-9(2)14/h3,10,12H,5-8H2,1-2,4H3
InChIKeyZNJMBPDXTRZWFJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.50
Rot. Bonds8

About CID 58679892

CID 58679892 (PubChem CID 58679892) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol.

Molecular Properties

Compound NameCID 58679892
PubChem CID58679892
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name—
SMILES[CH]N(C)CCC(NCC(C)=O)C(=O)CC
InChIInChI=1S/C11H20N2O2/c1-5-11(15)10(6-7-13(3)4)12-8-9(2)14/h3,10,12H,5-8H2,1-2,4H3
InChIKeyZNJMBPDXTRZWFJ-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58679892?
The IUPAC name of CID 58679892 (CID 58679892) is not available.
What is the SMILES notation for CID 58679892?
The canonical SMILES for CID 58679892 is [CH]N(C)CCC(NCC(C)=O)C(=O)CC.
What is the InChIKey of CID 58679892?
The InChIKey is ZNJMBPDXTRZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-11(15)10(6-7-13(3)4)12-8-9(2)14/h3,10,12H,5-8H2,1-2,4H3.
What are the key properties of CID 58679892?
CID 58679892 has a molecular weight of 212.29 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58679892 is sourced from PubChem (CID 58679892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).