CID 89129272

C11H20BNO — CID 89129272

IUPAC—
SMILES[B]N1CCC(O)C1C/C=C\CCCC
InChIInChI=1S/C11H20BNO/c1-2-3-4-5-6-7-10-11(14)8-9-13(10)12/h5-6,10-11,14H,2-4,7-9H2,1H3/b6-5-
InChIKeyGOGCMONHIGDNGE-WAYWQWQTSA-N
MW193.10 g/mol
LogP1.64
Rot. Bonds5

About CID 89129272

CID 89129272 (PubChem CID 89129272) has the molecular formula C11H20BNO and a molecular weight of 193.10 g/mol.

Molecular Properties

Compound NameCID 89129272
PubChem CID89129272
Molecular FormulaC11H20BNO
Molecular Weight193.10 g/mol
Exact Mass193.16
IUPAC Name—
SMILES[B]N1CCC(O)C1C/C=C\CCCC
InChIInChI=1S/C11H20BNO/c1-2-3-4-5-6-7-10-11(14)8-9-13(10)12/h5-6,10-11,14H,2-4,7-9H2,1H3/b6-5-
InChIKeyGOGCMONHIGDNGE-WAYWQWQTSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89129272?
The IUPAC name of CID 89129272 (CID 89129272) is not available.
What is the SMILES notation for CID 89129272?
The canonical SMILES for CID 89129272 is [B]N1CCC(O)C1C/C=C\CCCC.
What is the InChIKey of CID 89129272?
The InChIKey is GOGCMONHIGDNGE-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20BNO/c1-2-3-4-5-6-7-10-11(14)8-9-13(10)12/h5-6,10-11,14H,2-4,7-9H2,1H3/b6-5-.
What are the key properties of CID 89129272?
CID 89129272 has a molecular weight of 193.10 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89129272 is sourced from PubChem (CID 89129272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).