CID 135085039

C15H26NO2 — CID 135085039

IUPAC—
SMILESCC1C(C(=O)N([O])C(C)(C)C)CC2CC1C2(C)C
InChIInChI=1S/C15H26NO2/c1-9-11(13(17)16(18)14(2,3)4)7-10-8-12(9)15(10,5)6/h9-12H,7-8H2,1-6H3
InChIKeyNECQOYYOEIXKQJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.28
Rot. Bonds1

About CID 135085039

CID 135085039 (PubChem CID 135085039) has the molecular formula C15H26NO2 and a molecular weight of 252.38 g/mol.

Molecular Properties

Compound NameCID 135085039
PubChem CID135085039
Molecular FormulaC15H26NO2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name—
SMILESCC1C(C(=O)N([O])C(C)(C)C)CC2CC1C2(C)C
InChIInChI=1S/C15H26NO2/c1-9-11(13(17)16(18)14(2,3)4)7-10-8-12(9)15(10,5)6/h9-12H,7-8H2,1-6H3
InChIKeyNECQOYYOEIXKQJ-UHFFFAOYSA-N
XLogP3.28
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 135085039 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 135085039?
The IUPAC name of CID 135085039 (CID 135085039) is not available.
What is the SMILES notation for CID 135085039?
The canonical SMILES for CID 135085039 is CC1C(C(=O)N([O])C(C)(C)C)CC2CC1C2(C)C.
What is the InChIKey of CID 135085039?
The InChIKey is NECQOYYOEIXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO2/c1-9-11(13(17)16(18)14(2,3)4)7-10-8-12(9)15(10,5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of CID 135085039?
CID 135085039 has a molecular weight of 252.38 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135085039 is sourced from PubChem (CID 135085039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).