CID 102302966

C19H22NO — CID 102302966

IUPAC—
SMILESC[C@@]1(c2ccccc2)CCC[C@](C)(c2ccccc2)N1[O]
InChIInChI=1S/C19H22NO/c1-18(16-10-5-3-6-11-16)14-9-15-19(2,20(18)21)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3/t18-,19+
InChIKeyDFXFPTYJROIOJJ-KDURUIRLSA-N
MW280.39 g/mol
LogP4.65
Rot. Bonds2

About CID 102302966

CID 102302966 (PubChem CID 102302966) has the molecular formula C19H22NO and a molecular weight of 280.39 g/mol.

Molecular Properties

Compound NameCID 102302966
PubChem CID102302966
Molecular FormulaC19H22NO
Molecular Weight280.39 g/mol
Exact Mass280.17
IUPAC Name—
SMILESC[C@@]1(c2ccccc2)CCC[C@](C)(c2ccccc2)N1[O]
InChIInChI=1S/C19H22NO/c1-18(16-10-5-3-6-11-16)14-9-15-19(2,20(18)21)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3/t18-,19+
InChIKeyDFXFPTYJROIOJJ-KDURUIRLSA-N
XLogP4.65
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 102302966 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 102302966?
The IUPAC name of CID 102302966 (CID 102302966) is not available.
What is the SMILES notation for CID 102302966?
The canonical SMILES for CID 102302966 is C[C@@]1(c2ccccc2)CCC[C@](C)(c2ccccc2)N1[O].
What is the InChIKey of CID 102302966?
The InChIKey is DFXFPTYJROIOJJ-KDURUIRLSA-N. The full InChI is InChI=1S/C19H22NO/c1-18(16-10-5-3-6-11-16)14-9-15-19(2,20(18)21)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3/t18-,19+.
What are the key properties of CID 102302966?
CID 102302966 has a molecular weight of 280.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102302966 is sourced from PubChem (CID 102302966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).