CID 173499702

C3H5B2P — CID 173499702

IUPAC—
SMILES[B]P(#B)CC=C
InChIInChI=1S/C3H5B2P/c1-2-3-6(4)5/h2H,1,3H2
InChIKeyZMPFIDKJHCUUES-UHFFFAOYSA-N
MW93.67 g/mol
LogP0.82
Rot. Bonds1

About CID 173499702

CID 173499702 (PubChem CID 173499702) has the molecular formula C3H5B2P and a molecular weight of 93.67 g/mol.

Molecular Properties

Compound NameCID 173499702
PubChem CID173499702
Molecular FormulaC3H5B2P
Molecular Weight93.67 g/mol
Exact Mass94.03
IUPAC Name—
SMILES[B]P(#B)CC=C
InChIInChI=1S/C3H5B2P/c1-2-3-6(4)5/h2H,1,3H2
InChIKeyZMPFIDKJHCUUES-UHFFFAOYSA-N
XLogP0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.67
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173499702?
The IUPAC name of CID 173499702 (CID 173499702) is not available.
What is the SMILES notation for CID 173499702?
The canonical SMILES for CID 173499702 is [B]P(#B)CC=C.
What is the InChIKey of CID 173499702?
The InChIKey is ZMPFIDKJHCUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5B2P/c1-2-3-6(4)5/h2H,1,3H2.
What are the key properties of CID 173499702?
CID 173499702 has a molecular weight of 93.67 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173499702 is sourced from PubChem (CID 173499702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).