CID 139264803

C5H4NO2Se — CID 139264803

IUPAC—
SMILESN#C/C(=C\C[Se])C(=O)O
InChIInChI=1S/C5H4NO2Se/c6-3-4(1-2-9)5(7)8/h1H,2H2,(H,7,8)/b4-1+
InChIKeyZUKAPTNAUOKYSN-DAFODLJHSA-N
MW189.05 g/mol
LogP0.11
Rot. Bonds2

About CID 139264803

CID 139264803 (PubChem CID 139264803) has the molecular formula C5H4NO2Se and a molecular weight of 189.05 g/mol.

Molecular Properties

Compound NameCID 139264803
PubChem CID139264803
Molecular FormulaC5H4NO2Se
Molecular Weight189.05 g/mol
Exact Mass189.94
IUPAC Name—
SMILESN#C/C(=C\C[Se])C(=O)O
InChIInChI=1S/C5H4NO2Se/c6-3-4(1-2-9)5(7)8/h1H,2H2,(H,7,8)/b4-1+
InChIKeyZUKAPTNAUOKYSN-DAFODLJHSA-N
XLogP0.11
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90825047
(E)-2-cyano-3-hydroxyprop-2-enoic acid
CID 59895711
2-cyano-6-methylhept-2-enoic acid
CID 57060321
2-cyano-5-ethyloct-2-enoic acid
CID 154063775
2-cyano-4-(2-methylprop-1-enylsilyl)but-2-enoic acid
CID 173380999
(E)-4-chloro-2-cyanohex-2-enoic acid
CID 87486472
2-cyano-9-methyldec-2-enoic acid
CID 148548830
(E)-2-cyano-3-(cyanomethoxy)prop-2-enoic acid
CID 88936569
2-cyano-5-(2-hexoxyethoxy)pent-2-enoic acid
CID 175186201
2-cyano-5-propan-2-ylperoxypent-2-enoic acid
CID 150525876

Frequently Asked Questions

What is the IUPAC name of CID 139264803?
The IUPAC name of CID 139264803 (CID 139264803) is not available.
What is the SMILES notation for CID 139264803?
The canonical SMILES for CID 139264803 is N#C/C(=C\C[Se])C(=O)O.
What is the InChIKey of CID 139264803?
The InChIKey is ZUKAPTNAUOKYSN-DAFODLJHSA-N. The full InChI is InChI=1S/C5H4NO2Se/c6-3-4(1-2-9)5(7)8/h1H,2H2,(H,7,8)/b4-1+.
What are the key properties of CID 139264803?
CID 139264803 has a molecular weight of 189.05 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139264803 is sourced from PubChem (CID 139264803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).