CID 169153216

C18H25BNO — CID 169153216

IUPAC—
SMILESCCC.Cc1c2n(c3c(c1=O)=CCC=CC=3)CCCC2.[B]
InChIInChI=1S/C15H17NO.C3H8.B/c1-11-13-8-5-6-10-16(13)14-9-4-2-3-7-12(14)15(11)17;1-3-2;/h2,4,7,9H,3,5-6,8,10H2,1H3;3H2,1-2H3;
InChIKeyQXBKDLWCAZRAJH-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.05
Rot. Bonds

About CID 169153216

CID 169153216 (PubChem CID 169153216) has the molecular formula C18H25BNO and a molecular weight of 282.22 g/mol.

Molecular Properties

Compound NameCID 169153216
PubChem CID169153216
Molecular FormulaC18H25BNO
Molecular Weight282.22 g/mol
Exact Mass282.20
IUPAC Name—
SMILESCCC.Cc1c2n(c3c(c1=O)=CCC=CC=3)CCCC2.[B]
InChIInChI=1S/C15H17NO.C3H8.B/c1-11-13-8-5-6-10-16(13)14-9-4-2-3-7-12(14)15(11)17;1-3-2;/h2,4,7,9H,3,5-6,8,10H2,1H3;3H2,1-2H3;
InChIKeyQXBKDLWCAZRAJH-UHFFFAOYSA-N
XLogP2.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 169153216 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 169153216?
The IUPAC name of CID 169153216 (CID 169153216) is not available.
What is the SMILES notation for CID 169153216?
The canonical SMILES for CID 169153216 is CCC.Cc1c2n(c3c(c1=O)=CCC=CC=3)CCCC2.[B].
What is the InChIKey of CID 169153216?
The InChIKey is QXBKDLWCAZRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C3H8.B/c1-11-13-8-5-6-10-16(13)14-9-4-2-3-7-12(14)15(11)17;1-3-2;/h2,4,7,9H,3,5-6,8,10H2,1H3;3H2,1-2H3;.
What are the key properties of CID 169153216?
CID 169153216 has a molecular weight of 282.22 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169153216 is sourced from PubChem (CID 169153216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).