bis(prop-2-enylcarbamic acid);triphenylstibane

C26H29N2O4Sb — CID 10347598

IUPACbis(prop-2-enylcarbamic acid);triphenylstibane
SMILESC=CCNC(=O)O.C=CCNC(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C4H7NO2.Sb/c3*1-2-4-6-5-3-1;2*1-2-3-5-4(6)7;/h3*1-5H;2*2,5H,1,3H2,(H,6,7);
InChIKeyRYORWGZQPJFXAG-UHFFFAOYSA-N
MW555.29 g/mol
LogP3.08
Rot. Bonds7

About bis(prop-2-enylcarbamic acid);triphenylstibane

bis(prop-2-enylcarbamic acid);triphenylstibane (PubChem CID 10347598) has the molecular formula C26H29N2O4Sb and a molecular weight of 555.29 g/mol. Its IUPAC name is bis(prop-2-enylcarbamic acid);triphenylstibane.

Molecular Properties

Compound Namebis(prop-2-enylcarbamic acid);triphenylstibane
PubChem CID10347598
Molecular FormulaC26H29N2O4Sb
Molecular Weight555.29 g/mol
Exact Mass554.12
IUPAC Namebis(prop-2-enylcarbamic acid);triphenylstibane
SMILESC=CCNC(=O)O.C=CCNC(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C4H7NO2.Sb/c3*1-2-4-6-5-3-1;2*1-2-3-5-4(6)7;/h3*1-5H;2*2,5H,1,3H2,(H,6,7);
InChIKeyRYORWGZQPJFXAG-UHFFFAOYSA-N
XLogP3.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.29
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enylcarbamic acid);triphenylstibane?
The IUPAC name of bis(prop-2-enylcarbamic acid);triphenylstibane (CID 10347598) is bis(prop-2-enylcarbamic acid);triphenylstibane.
What is the SMILES notation for bis(prop-2-enylcarbamic acid);triphenylstibane?
The canonical SMILES for bis(prop-2-enylcarbamic acid);triphenylstibane is C=CCNC(=O)O.C=CCNC(=O)O.c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(prop-2-enylcarbamic acid);triphenylstibane?
The InChIKey is RYORWGZQPJFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.2C4H7NO2.Sb/c3*1-2-4-6-5-3-1;2*1-2-3-5-4(6)7;/h3*1-5H;2*2,5H,1,3H2,(H,6,7);.
What are the key properties of bis(prop-2-enylcarbamic acid);triphenylstibane?
bis(prop-2-enylcarbamic acid);triphenylstibane has a molecular weight of 555.29 g/mol, XLogP of 3.08, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enylcarbamic acid);triphenylstibane is sourced from PubChem (CID 10347598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).