1H-pyrrol-3-ylphosphane

C4H6NP — CID 142553746

IUPAC1H-pyrrol-3-ylphosphane
SMILESPc1cc[nH]c1
InChIInChI=1S/C4H6NP/c6-4-1-2-5-3-4/h1-3,5H,6H2
InChIKeyKVSZXBGXSCBBFT-UHFFFAOYSA-N
MW99.07 g/mol
LogP0.52
Rot. Bonds

About 1H-pyrrol-3-ylphosphane

1H-pyrrol-3-ylphosphane (PubChem CID 142553746) has the molecular formula C4H6NP and a molecular weight of 99.07 g/mol. Its IUPAC name is 1H-pyrrol-3-ylphosphane.

Molecular Properties

Compound Name1H-pyrrol-3-ylphosphane
PubChem CID142553746
Molecular FormulaC4H6NP
Molecular Weight99.07 g/mol
Exact Mass99.02
IUPAC Name1H-pyrrol-3-ylphosphane
SMILESPc1cc[nH]c1
InChIInChI=1S/C4H6NP/c6-4-1-2-5-3-4/h1-3,5H,6H2
InChIKeyKVSZXBGXSCBBFT-UHFFFAOYSA-N
XLogP0.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.07
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-ylphosphane?
The IUPAC name of 1H-pyrrol-3-ylphosphane (CID 142553746) is 1H-pyrrol-3-ylphosphane.
What is the SMILES notation for 1H-pyrrol-3-ylphosphane?
The canonical SMILES for 1H-pyrrol-3-ylphosphane is Pc1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-ylphosphane?
The InChIKey is KVSZXBGXSCBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NP/c6-4-1-2-5-3-4/h1-3,5H,6H2.
What are the key properties of 1H-pyrrol-3-ylphosphane?
1H-pyrrol-3-ylphosphane has a molecular weight of 99.07 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-ylphosphane is sourced from PubChem (CID 142553746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).