CID 170763162

C10H12BN — CID 170763162

IUPAC—
SMILES[B]c1ccc(C=C)c(N(C)C)c1
InChIInChI=1S/C10H12BN/c1-4-8-5-6-9(11)7-10(8)12(2)3/h4-7H,1H2,2-3H3
InChIKeyXUJFTXMCBLCGBV-UHFFFAOYSA-N
MW157.02 g/mol
LogP1.19
Rot. Bonds2

About CID 170763162

CID 170763162 (PubChem CID 170763162) has the molecular formula C10H12BN and a molecular weight of 157.02 g/mol.

Molecular Properties

Compound NameCID 170763162
PubChem CID170763162
Molecular FormulaC10H12BN
Molecular Weight157.02 g/mol
Exact Mass157.11
IUPAC Name—
SMILES[B]c1ccc(C=C)c(N(C)C)c1
InChIInChI=1S/C10H12BN/c1-4-8-5-6-9(11)7-10(8)12(2)3/h4-7H,1H2,2-3H3
InChIKeyXUJFTXMCBLCGBV-UHFFFAOYSA-N
XLogP1.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 170763162?
The IUPAC name of CID 170763162 (CID 170763162) is not available.
What is the SMILES notation for CID 170763162?
The canonical SMILES for CID 170763162 is [B]c1ccc(C=C)c(N(C)C)c1.
What is the InChIKey of CID 170763162?
The InChIKey is XUJFTXMCBLCGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BN/c1-4-8-5-6-9(11)7-10(8)12(2)3/h4-7H,1H2,2-3H3.
What are the key properties of CID 170763162?
CID 170763162 has a molecular weight of 157.02 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170763162 is sourced from PubChem (CID 170763162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).