CID 20602906

C5H8BNO2P — CID 20602906

IUPAC—
SMILES[H]/N=P/[B]CCOC(=O)C=C
InChIInChI=1S/C5H8BNO2P/c1-2-5(8)9-4-3-6-10-7/h2,7H,1,3-4H2
InChIKeyPEKUMGAEAFZPAZ-UHFFFAOYSA-N
MW155.91 g/mol
LogP1.46
Rot. Bonds5

About CID 20602906

CID 20602906 (PubChem CID 20602906) has the molecular formula C5H8BNO2P and a molecular weight of 155.91 g/mol.

Molecular Properties

Compound NameCID 20602906
PubChem CID20602906
Molecular FormulaC5H8BNO2P
Molecular Weight155.91 g/mol
Exact Mass156.04
IUPAC Name—
SMILES[H]/N=P/[B]CCOC(=O)C=C
InChIInChI=1S/C5H8BNO2P/c1-2-5(8)9-4-3-6-10-7/h2,7H,1,3-4H2
InChIKeyPEKUMGAEAFZPAZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.91
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 20602906 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-iminopropyl prop-2-enoate
CID 152689753
4-iminobutyl prop-2-enoate
CID 57122491
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-phosphanylpropyl prop-2-enoate
CID 151934369
2-chloroethyl prop-2-enoate
CID 16627
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139

Frequently Asked Questions

What is the IUPAC name of CID 20602906?
The IUPAC name of CID 20602906 (CID 20602906) is not available.
What is the SMILES notation for CID 20602906?
The canonical SMILES for CID 20602906 is [H]/N=P/[B]CCOC(=O)C=C.
What is the InChIKey of CID 20602906?
The InChIKey is PEKUMGAEAFZPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BNO2P/c1-2-5(8)9-4-3-6-10-7/h2,7H,1,3-4H2.
What are the key properties of CID 20602906?
CID 20602906 has a molecular weight of 155.91 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20602906 is sourced from PubChem (CID 20602906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).