CID 71011032

C11H16BN4O2 — CID 71011032

IUPAC—
SMILESC[B]c1c(N)cnn(CCC(=O)NC2CC2)c1=O
InChIInChI=1S/C11H16BN4O2/c1-12-10-8(13)6-14-16(11(10)18)5-4-9(17)15-7-2-3-7/h6-7H,2-5,13H2,1H3,(H,15,17)
InChIKeyGVUUHFWXIJUGJL-UHFFFAOYSA-N
MW247.09 g/mol
LogP-1.13
Rot. Bonds5

About CID 71011032

CID 71011032 (PubChem CID 71011032) has the molecular formula C11H16BN4O2 and a molecular weight of 247.09 g/mol.

Molecular Properties

Compound NameCID 71011032
PubChem CID71011032
Molecular FormulaC11H16BN4O2
Molecular Weight247.09 g/mol
Exact Mass247.14
IUPAC Name—
SMILESC[B]c1c(N)cnn(CCC(=O)NC2CC2)c1=O
InChIInChI=1S/C11H16BN4O2/c1-12-10-8(13)6-14-16(11(10)18)5-4-9(17)15-7-2-3-7/h6-7H,2-5,13H2,1H3,(H,15,17)
InChIKeyGVUUHFWXIJUGJL-UHFFFAOYSA-N
XLogP-1.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 71011032 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 71011032?
The IUPAC name of CID 71011032 (CID 71011032) is not available.
What is the SMILES notation for CID 71011032?
The canonical SMILES for CID 71011032 is C[B]c1c(N)cnn(CCC(=O)NC2CC2)c1=O.
What is the InChIKey of CID 71011032?
The InChIKey is GVUUHFWXIJUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BN4O2/c1-12-10-8(13)6-14-16(11(10)18)5-4-9(17)15-7-2-3-7/h6-7H,2-5,13H2,1H3,(H,15,17).
What are the key properties of CID 71011032?
CID 71011032 has a molecular weight of 247.09 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71011032 is sourced from PubChem (CID 71011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).