CID 176569960

C15H26NO2 — CID 176569960

IUPAC—
SMILESCO[C]1CC(C)=C(OC)C=C1C[C@H]1CCCNC1.[H][H]
InChIInChI=1S/C15H24NO2.H2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12;/h9,12,16H,4-8,10H2,1-3H3;1H/t12-;/m1./s1
InChIKeyVFDMEIFETDLREB-UTONKHPSSA-N
MW252.38 g/mol
LogP3.05
Rot. Bonds4

About CID 176569960

CID 176569960 (PubChem CID 176569960) has the molecular formula C15H26NO2 and a molecular weight of 252.38 g/mol.

Molecular Properties

Compound NameCID 176569960
PubChem CID176569960
Molecular FormulaC15H26NO2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name—
SMILESCO[C]1CC(C)=C(OC)C=C1C[C@H]1CCCNC1.[H][H]
InChIInChI=1S/C15H24NO2.H2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12;/h9,12,16H,4-8,10H2,1-3H3;1H/t12-;/m1./s1
InChIKeyVFDMEIFETDLREB-UTONKHPSSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 176569960 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 176569960?
The IUPAC name of CID 176569960 (CID 176569960) is not available.
What is the SMILES notation for CID 176569960?
The canonical SMILES for CID 176569960 is CO[C]1CC(C)=C(OC)C=C1C[C@H]1CCCNC1.[H][H].
What is the InChIKey of CID 176569960?
The InChIKey is VFDMEIFETDLREB-UTONKHPSSA-N. The full InChI is InChI=1S/C15H24NO2.H2/c1-11-7-15(18-3)13(9-14(11)17-2)8-12-5-4-6-16-10-12;/h9,12,16H,4-8,10H2,1-3H3;1H/t12-;/m1./s1.
What are the key properties of CID 176569960?
CID 176569960 has a molecular weight of 252.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176569960 is sourced from PubChem (CID 176569960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).