CID 59589063

C7H10BNO2 — CID 59589063

IUPAC—
SMILES[B]C(=O)N1CCC(C(C)=O)C1
InChIInChI=1S/C7H10BNO2/c1-5(10)6-2-3-9(4-6)7(8)11/h6H,2-4H2,1H3
InChIKeyMHHLMPWXGSFQOF-UHFFFAOYSA-N
MW150.97 g/mol
LogP0.19
Rot. Bonds1

About CID 59589063

CID 59589063 (PubChem CID 59589063) has the molecular formula C7H10BNO2 and a molecular weight of 150.97 g/mol.

Molecular Properties

Compound NameCID 59589063
PubChem CID59589063
Molecular FormulaC7H10BNO2
Molecular Weight150.97 g/mol
Exact Mass151.08
IUPAC Name—
SMILES[B]C(=O)N1CCC(C(C)=O)C1
InChIInChI=1S/C7H10BNO2/c1-5(10)6-2-3-9(4-6)7(8)11/h6H,2-4H2,1H3
InChIKeyMHHLMPWXGSFQOF-UHFFFAOYSA-N
XLogP0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59589063?
The IUPAC name of CID 59589063 (CID 59589063) is not available.
What is the SMILES notation for CID 59589063?
The canonical SMILES for CID 59589063 is [B]C(=O)N1CCC(C(C)=O)C1.
What is the InChIKey of CID 59589063?
The InChIKey is MHHLMPWXGSFQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO2/c1-5(10)6-2-3-9(4-6)7(8)11/h6H,2-4H2,1H3.
What are the key properties of CID 59589063?
CID 59589063 has a molecular weight of 150.97 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59589063 is sourced from PubChem (CID 59589063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).