CID 59938157

C10H17BN3O2 — CID 59938157

IUPAC—
SMILESCC1C(=O)N2CC(=O)N(C)[B]C2N(C)C1C
InChIInChI=1S/C10H17BN3O2/c1-6-7(2)12(3)10-11-13(4)8(15)5-14(10)9(6)16/h6-7,10H,5H2,1-4H3
InChIKeyHKROJULIUKAQSK-UHFFFAOYSA-N
MW222.08 g/mol
LogP-0.84
Rot. Bonds

About CID 59938157

CID 59938157 (PubChem CID 59938157) has the molecular formula C10H17BN3O2 and a molecular weight of 222.08 g/mol.

Molecular Properties

Compound NameCID 59938157
PubChem CID59938157
Molecular FormulaC10H17BN3O2
Molecular Weight222.08 g/mol
Exact Mass222.14
IUPAC Name—
SMILESCC1C(=O)N2CC(=O)N(C)[B]C2N(C)C1C
InChIInChI=1S/C10H17BN3O2/c1-6-7(2)12(3)10-11-13(4)8(15)5-14(10)9(6)16/h6-7,10H,5H2,1-4H3
InChIKeyHKROJULIUKAQSK-UHFFFAOYSA-N
XLogP-0.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 5-0.84
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 59938157?
The IUPAC name of CID 59938157 (CID 59938157) is not available.
What is the SMILES notation for CID 59938157?
The canonical SMILES for CID 59938157 is CC1C(=O)N2CC(=O)N(C)[B]C2N(C)C1C.
What is the InChIKey of CID 59938157?
The InChIKey is HKROJULIUKAQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN3O2/c1-6-7(2)12(3)10-11-13(4)8(15)5-14(10)9(6)16/h6-7,10H,5H2,1-4H3.
What are the key properties of CID 59938157?
CID 59938157 has a molecular weight of 222.08 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59938157 is sourced from PubChem (CID 59938157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).