CID 159290208

C11H23BNO2 — CID 159290208

IUPAC—
SMILESCC.CCC1CCC(=O)N(CC)C1O.[B]
InChIInChI=1S/C9H17NO2.C2H6.B/c1-3-7-5-6-8(11)10(4-2)9(7)12;1-2;/h7,9,12H,3-6H2,1-2H3;1-2H3;
InChIKeyLYQRGACANSSKGJ-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.62
Rot. Bonds2

About CID 159290208

CID 159290208 (PubChem CID 159290208) has the molecular formula C11H23BNO2 and a molecular weight of 212.12 g/mol.

Molecular Properties

Compound NameCID 159290208
PubChem CID159290208
Molecular FormulaC11H23BNO2
Molecular Weight212.12 g/mol
Exact Mass212.18
IUPAC Name—
SMILESCC.CCC1CCC(=O)N(CC)C1O.[B]
InChIInChI=1S/C9H17NO2.C2H6.B/c1-3-7-5-6-8(11)10(4-2)9(7)12;1-2;/h7,9,12H,3-6H2,1-2H3;1-2H3;
InChIKeyLYQRGACANSSKGJ-UHFFFAOYSA-N
XLogP1.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.62
H-Bond Donors ≤ 51
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 159290208?
The IUPAC name of CID 159290208 (CID 159290208) is not available.
What is the SMILES notation for CID 159290208?
The canonical SMILES for CID 159290208 is CC.CCC1CCC(=O)N(CC)C1O.[B].
What is the InChIKey of CID 159290208?
The InChIKey is LYQRGACANSSKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6.B/c1-3-7-5-6-8(11)10(4-2)9(7)12;1-2;/h7,9,12H,3-6H2,1-2H3;1-2H3;.
What are the key properties of CID 159290208?
CID 159290208 has a molecular weight of 212.12 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159290208 is sourced from PubChem (CID 159290208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).