CID 142548675

C12H20BNO — CID 142548675

IUPAC—
SMILES[B]C1CCCC2C1CCC1(COC1)N2C
InChIInChI=1S/C12H20BNO/c1-14-11-4-2-3-10(13)9(11)5-6-12(14)7-15-8-12/h9-11H,2-8H2,1H3
InChIKeyFOEAIKALMQZHFY-UHFFFAOYSA-N
MW205.11 g/mol
LogP1.61
Rot. Bonds

About CID 142548675

CID 142548675 (PubChem CID 142548675) has the molecular formula C12H20BNO and a molecular weight of 205.11 g/mol.

Molecular Properties

Compound NameCID 142548675
PubChem CID142548675
Molecular FormulaC12H20BNO
Molecular Weight205.11 g/mol
Exact Mass205.16
IUPAC Name—
SMILES[B]C1CCCC2C1CCC1(COC1)N2C
InChIInChI=1S/C12H20BNO/c1-14-11-4-2-3-10(13)9(11)5-6-12(14)7-15-8-12/h9-11H,2-8H2,1H3
InChIKeyFOEAIKALMQZHFY-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 51.61
H-Bond Donors ≤ 50
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 142548675?
The IUPAC name of CID 142548675 (CID 142548675) is not available.
What is the SMILES notation for CID 142548675?
The canonical SMILES for CID 142548675 is [B]C1CCCC2C1CCC1(COC1)N2C.
What is the InChIKey of CID 142548675?
The InChIKey is FOEAIKALMQZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BNO/c1-14-11-4-2-3-10(13)9(11)5-6-12(14)7-15-8-12/h9-11H,2-8H2,1H3.
What are the key properties of CID 142548675?
CID 142548675 has a molecular weight of 205.11 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142548675 is sourced from PubChem (CID 142548675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).