CID 174088147

C14H16BN — CID 174088147

IUPAC—
SMILES[B]C(=C)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C14H16BN/c1-9(15)16-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14/h8,16H,1-7H2
InChIKeyKUCQOJHFQKRDFY-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.72
Rot. Bonds2

About CID 174088147

CID 174088147 (PubChem CID 174088147) has the molecular formula C14H16BN and a molecular weight of 209.10 g/mol.

Molecular Properties

Compound NameCID 174088147
PubChem CID174088147
Molecular FormulaC14H16BN
Molecular Weight209.10 g/mol
Exact Mass209.14
IUPAC Name—
SMILES[B]C(=C)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C14H16BN/c1-9(15)16-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14/h8,16H,1-7H2
InChIKeyKUCQOJHFQKRDFY-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 174088147?
The IUPAC name of CID 174088147 (CID 174088147) is not available.
What is the SMILES notation for CID 174088147?
The canonical SMILES for CID 174088147 is [B]C(=C)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of CID 174088147?
The InChIKey is KUCQOJHFQKRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BN/c1-9(15)16-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14/h8,16H,1-7H2.
What are the key properties of CID 174088147?
CID 174088147 has a molecular weight of 209.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174088147 is sourced from PubChem (CID 174088147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).