CID 59126126

C13H24NO2 — CID 59126126

IUPAC—
SMILESC/C=C(/C)C1(O)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H24NO2/c1-7-10(2)13(15)8-11(3,4)14(16)12(5,6)9-13/h7,15H,8-9H2,1-6H3/b10-7-
InChIKeyUHEXTIIETOSTQX-YFHOEESVSA-N
MW226.34 g/mol
LogP2.68
Rot. Bonds1

About CID 59126126

CID 59126126 (PubChem CID 59126126) has the molecular formula C13H24NO2 and a molecular weight of 226.34 g/mol.

Molecular Properties

Compound NameCID 59126126
PubChem CID59126126
Molecular FormulaC13H24NO2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name—
SMILESC/C=C(/C)C1(O)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H24NO2/c1-7-10(2)13(15)8-11(3,4)14(16)12(5,6)9-13/h7,15H,8-9H2,1-6H3/b10-7-
InChIKeyUHEXTIIETOSTQX-YFHOEESVSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 59126126?
The IUPAC name of CID 59126126 (CID 59126126) is not available.
What is the SMILES notation for CID 59126126?
The canonical SMILES for CID 59126126 is C/C=C(/C)C1(O)CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 59126126?
The InChIKey is UHEXTIIETOSTQX-YFHOEESVSA-N. The full InChI is InChI=1S/C13H24NO2/c1-7-10(2)13(15)8-11(3,4)14(16)12(5,6)9-13/h7,15H,8-9H2,1-6H3/b10-7-.
What are the key properties of CID 59126126?
CID 59126126 has a molecular weight of 226.34 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59126126 is sourced from PubChem (CID 59126126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).