CID 3110792

C13H26NO2 — CID 3110792

IUPAC—
SMILESCCCCC1(O)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H26NO2/c1-6-7-8-13(15)9-11(2,3)14(16)12(4,5)10-13/h15H,6-10H2,1-5H3
InChIKeyVZBGPEJBQXEYDU-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.91
Rot. Bonds3

About CID 3110792

CID 3110792 (PubChem CID 3110792) has the molecular formula C13H26NO2 and a molecular weight of 228.36 g/mol.

Molecular Properties

Compound NameCID 3110792
PubChem CID3110792
Molecular FormulaC13H26NO2
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Name—
SMILESCCCCC1(O)CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H26NO2/c1-6-7-8-13(15)9-11(2,3)14(16)12(4,5)10-13/h15H,6-10H2,1-5H3
InChIKeyVZBGPEJBQXEYDU-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 3110792?
The IUPAC name of CID 3110792 (CID 3110792) is not available.
What is the SMILES notation for CID 3110792?
The canonical SMILES for CID 3110792 is CCCCC1(O)CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 3110792?
The InChIKey is VZBGPEJBQXEYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO2/c1-6-7-8-13(15)9-11(2,3)14(16)12(4,5)10-13/h15H,6-10H2,1-5H3.
What are the key properties of CID 3110792?
CID 3110792 has a molecular weight of 228.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 3110792 is sourced from PubChem (CID 3110792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).