2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane

C9H12NP — CID 123665873

IUPAC2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
SMILESC=Cc1cc[nH]c1C=CPC
InChIInChI=1S/C9H12NP/c1-3-8-4-6-10-9(8)5-7-11-2/h3-7,10-11H,1H2,2H3
InChIKeyAYQCJOWVEVXMJV-UHFFFAOYSA-N
MW165.18 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane

2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane (PubChem CID 123665873) has the molecular formula C9H12NP and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane.

Molecular Properties

Compound Name2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
PubChem CID123665873
Molecular FormulaC9H12NP
Molecular Weight165.18 g/mol
Exact Mass165.07
IUPAC Name2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
SMILESC=Cc1cc[nH]c1C=CPC
InChIInChI=1S/C9H12NP/c1-3-8-4-6-10-9(8)5-7-11-2/h3-7,10-11H,1H2,2H3
InChIKeyAYQCJOWVEVXMJV-UHFFFAOYSA-N
XLogP2.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
CID 143270524
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
CID 90462452
2-ethenyl-3-fluoro-1H-pyrrole
CID 155724901
3-buta-1,3-dienyl-2-methyl-1H-pyrrole
CID 91256027
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1H-pyrrole
CID 89218252
3-methyl-2-prop-1-enyl-1H-pyrrole
CID 123712254
ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
CID 171807389

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane?
The IUPAC name of 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane (CID 123665873) is 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane.
What is the SMILES notation for 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane?
The canonical SMILES for 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane is C=Cc1cc[nH]c1C=CPC.
What is the InChIKey of 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane?
The InChIKey is AYQCJOWVEVXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NP/c1-3-8-4-6-10-9(8)5-7-11-2/h3-7,10-11H,1H2,2H3.
What are the key properties of 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane?
2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane has a molecular weight of 165.18 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane is sourced from PubChem (CID 123665873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).