CID 20612510

C5H9BNO2P — CID 20612510

IUPAC—
SMILES[B]/C=C/CC(NP)C(=O)O
InChIInChI=1S/C5H9BNO2P/c6-3-1-2-4(7-10)5(8)9/h1,3-4,7H,2,10H2,(H,8,9)/b3-1+
InChIKeyJIAQRSCQYWKNSX-HNQUOIGGSA-N
MW156.92 g/mol
LogP-0.11
Rot. Bonds4

About CID 20612510

CID 20612510 (PubChem CID 20612510) has the molecular formula C5H9BNO2P and a molecular weight of 156.92 g/mol.

Molecular Properties

Compound NameCID 20612510
PubChem CID20612510
Molecular FormulaC5H9BNO2P
Molecular Weight156.92 g/mol
Exact Mass157.05
IUPAC Name—
SMILES[B]/C=C/CC(NP)C(=O)O
InChIInChI=1S/C5H9BNO2P/c6-3-1-2-4(7-10)5(8)9/h1,3-4,7H,2,10H2,(H,8,9)/b3-1+
InChIKeyJIAQRSCQYWKNSX-HNQUOIGGSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.92
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20612510?
The IUPAC name of CID 20612510 (CID 20612510) is not available.
What is the SMILES notation for CID 20612510?
The canonical SMILES for CID 20612510 is [B]/C=C/CC(NP)C(=O)O.
What is the InChIKey of CID 20612510?
The InChIKey is JIAQRSCQYWKNSX-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H9BNO2P/c6-3-1-2-4(7-10)5(8)9/h1,3-4,7H,2,10H2,(H,8,9)/b3-1+.
What are the key properties of CID 20612510?
CID 20612510 has a molecular weight of 156.92 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20612510 is sourced from PubChem (CID 20612510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).