CID 154642971

C14H20BNO — CID 154642971

IUPAC—
SMILES[B]C(C)(NC(C)(C)C)C(=O)c1cccc(C)c1
InChIInChI=1S/C14H20BNO/c1-10-7-6-8-11(9-10)12(17)14(5,15)16-13(2,3)4/h6-9,16H,1-5H3
InChIKeyFPACCBMEKZKWQJ-UHFFFAOYSA-N
MW229.13 g/mol
LogP2.45
Rot. Bonds3

About CID 154642971

CID 154642971 (PubChem CID 154642971) has the molecular formula C14H20BNO and a molecular weight of 229.13 g/mol.

Molecular Properties

Compound NameCID 154642971
PubChem CID154642971
Molecular FormulaC14H20BNO
Molecular Weight229.13 g/mol
Exact Mass229.16
IUPAC Name—
SMILES[B]C(C)(NC(C)(C)C)C(=O)c1cccc(C)c1
InChIInChI=1S/C14H20BNO/c1-10-7-6-8-11(9-10)12(17)14(5,15)16-13(2,3)4/h6-9,16H,1-5H3
InChIKeyFPACCBMEKZKWQJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 154642971?
The IUPAC name of CID 154642971 (CID 154642971) is not available.
What is the SMILES notation for CID 154642971?
The canonical SMILES for CID 154642971 is [B]C(C)(NC(C)(C)C)C(=O)c1cccc(C)c1.
What is the InChIKey of CID 154642971?
The InChIKey is FPACCBMEKZKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BNO/c1-10-7-6-8-11(9-10)12(17)14(5,15)16-13(2,3)4/h6-9,16H,1-5H3.
What are the key properties of CID 154642971?
CID 154642971 has a molecular weight of 229.13 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154642971 is sourced from PubChem (CID 154642971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).