CID 162267242

C11H18BNO — CID 162267242

IUPAC—
SMILES[B]CC(O)C=C[C@H]1CCC(=C)N1CC
InChIInChI=1S/C11H18BNO/c1-3-13-9(2)4-5-10(13)6-7-11(14)8-12/h6-7,10-11,14H,2-5,8H2,1H3/t10-,11?/m1/s1
InChIKeyOWPFBFBHCQUFNP-NFJWQWPMSA-N
MW191.08 g/mol
LogP1.49
Rot. Bonds4

About CID 162267242

CID 162267242 (PubChem CID 162267242) has the molecular formula C11H18BNO and a molecular weight of 191.08 g/mol.

Molecular Properties

Compound NameCID 162267242
PubChem CID162267242
Molecular FormulaC11H18BNO
Molecular Weight191.08 g/mol
Exact Mass191.15
IUPAC Name—
SMILES[B]CC(O)C=C[C@H]1CCC(=C)N1CC
InChIInChI=1S/C11H18BNO/c1-3-13-9(2)4-5-10(13)6-7-11(14)8-12/h6-7,10-11,14H,2-5,8H2,1H3/t10-,11?/m1/s1
InChIKeyOWPFBFBHCQUFNP-NFJWQWPMSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 162267242?
The IUPAC name of CID 162267242 (CID 162267242) is not available.
What is the SMILES notation for CID 162267242?
The canonical SMILES for CID 162267242 is [B]CC(O)C=C[C@H]1CCC(=C)N1CC.
What is the InChIKey of CID 162267242?
The InChIKey is OWPFBFBHCQUFNP-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H18BNO/c1-3-13-9(2)4-5-10(13)6-7-11(14)8-12/h6-7,10-11,14H,2-5,8H2,1H3/t10-,11?/m1/s1.
What are the key properties of CID 162267242?
CID 162267242 has a molecular weight of 191.08 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162267242 is sourced from PubChem (CID 162267242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).