CID 20577103

C11H19BN3O2 — CID 20577103

IUPAC—
SMILESCC1C(=O)N2C(C)C(=O)N(C)[B]C2N(C)C1C
InChIInChI=1S/C11H19BN3O2/c1-6-7(2)13(4)11-12-14(5)10(17)8(3)15(11)9(6)16/h6-8,11H,1-5H3
InChIKeyJGWJCEVVLBRCEN-UHFFFAOYSA-N
MW236.10 g/mol
LogP-0.45
Rot. Bonds

About CID 20577103

CID 20577103 (PubChem CID 20577103) has the molecular formula C11H19BN3O2 and a molecular weight of 236.10 g/mol.

Molecular Properties

Compound NameCID 20577103
PubChem CID20577103
Molecular FormulaC11H19BN3O2
Molecular Weight236.10 g/mol
Exact Mass236.16
IUPAC Name—
SMILESCC1C(=O)N2C(C)C(=O)N(C)[B]C2N(C)C1C
InChIInChI=1S/C11H19BN3O2/c1-6-7(2)13(4)11-12-14(5)10(17)8(3)15(11)9(6)16/h6-8,11H,1-5H3
InChIKeyJGWJCEVVLBRCEN-UHFFFAOYSA-N
XLogP-0.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20577103?
The IUPAC name of CID 20577103 (CID 20577103) is not available.
What is the SMILES notation for CID 20577103?
The canonical SMILES for CID 20577103 is CC1C(=O)N2C(C)C(=O)N(C)[B]C2N(C)C1C.
What is the InChIKey of CID 20577103?
The InChIKey is JGWJCEVVLBRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN3O2/c1-6-7(2)13(4)11-12-14(5)10(17)8(3)15(11)9(6)16/h6-8,11H,1-5H3.
What are the key properties of CID 20577103?
CID 20577103 has a molecular weight of 236.10 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20577103 is sourced from PubChem (CID 20577103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).