[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane

C14H19NP2 — CID 167027514

IUPAC[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane
SMILESC=C/C=C\c1c(C)c(/C=C\C)c(C=C)n1PP
InChIInChI=1S/C14H19NP2/c1-5-8-10-14-11(4)12(9-6-2)13(7-3)15(14)17-16/h5-10,17H,1,3,16H2,2,4H3/b9-6-,10-8-
InChIKeyZGIUVKXUKYSQBU-PTKGMRGESA-N
MW263.26 g/mol
LogP4.90
Rot. Bonds5

About [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane

[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane (PubChem CID 167027514) has the molecular formula C14H19NP2 and a molecular weight of 263.26 g/mol. Its IUPAC name is [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane.

Molecular Properties

Compound Name[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane
PubChem CID167027514
Molecular FormulaC14H19NP2
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane
SMILESC=C/C=C\c1c(C)c(/C=C\C)c(C=C)n1PP
InChIInChI=1S/C14H19NP2/c1-5-8-10-14-11(4)12(9-6-2)13(7-3)15(14)17-16/h5-10,17H,1,3,16H2,2,4H3/b9-6-,10-8-
InChIKeyZGIUVKXUKYSQBU-PTKGMRGESA-N
XLogP4.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane?
The IUPAC name of [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane (CID 167027514) is [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane.
What is the SMILES notation for [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane?
The canonical SMILES for [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane is C=C/C=C\c1c(C)c(/C=C\C)c(C=C)n1PP.
What is the InChIKey of [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane?
The InChIKey is ZGIUVKXUKYSQBU-PTKGMRGESA-N. The full InChI is InChI=1S/C14H19NP2/c1-5-8-10-14-11(4)12(9-6-2)13(7-3)15(14)17-16/h5-10,17H,1,3,16H2,2,4H3/b9-6-,10-8-.
What are the key properties of [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane?
[2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane has a molecular weight of 263.26 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-phosphanylphosphane is sourced from PubChem (CID 167027514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).