CID 59808920

C11H20BNO — CID 59808920

IUPAC—
SMILES[B]CC(O)CC[C@H]1CCC(=C)N1CC
InChIInChI=1S/C11H20BNO/c1-3-13-9(2)4-5-10(13)6-7-11(14)8-12/h10-11,14H,2-8H2,1H3/t10-,11?/m1/s1
InChIKeyXFYAAAHFJHHECZ-NFJWQWPMSA-N
MW193.10 g/mol
LogP1.71
Rot. Bonds5

About CID 59808920

CID 59808920 (PubChem CID 59808920) has the molecular formula C11H20BNO and a molecular weight of 193.10 g/mol.

Molecular Properties

Compound NameCID 59808920
PubChem CID59808920
Molecular FormulaC11H20BNO
Molecular Weight193.10 g/mol
Exact Mass193.16
IUPAC Name—
SMILES[B]CC(O)CC[C@H]1CCC(=C)N1CC
InChIInChI=1S/C11H20BNO/c1-3-13-9(2)4-5-10(13)6-7-11(14)8-12/h10-11,14H,2-8H2,1H3/t10-,11?/m1/s1
InChIKeyXFYAAAHFJHHECZ-NFJWQWPMSA-N
XLogP1.71
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 ≤ 51.71
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 59808920?
The IUPAC name of CID 59808920 (CID 59808920) is not available.
What is the SMILES notation for CID 59808920?
The canonical SMILES for CID 59808920 is [B]CC(O)CC[C@H]1CCC(=C)N1CC.
What is the InChIKey of CID 59808920?
The InChIKey is XFYAAAHFJHHECZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H20BNO/c1-3-13-9(2)4-5-10(13)6-7-11(14)8-12/h10-11,14H,2-8H2,1H3/t10-,11?/m1/s1.
What are the key properties of CID 59808920?
CID 59808920 has a molecular weight of 193.10 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59808920 is sourced from PubChem (CID 59808920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).