3H-pyrrol-2-ylphosphane

C4H6NP — CID 58258235

IUPAC3H-pyrrol-2-ylphosphane
SMILESPC1=NC=CC1
InChIInChI=1S/C4H6NP/c6-4-2-1-3-5-4/h1,3H,2,6H2
InChIKeyBAGJCYCAKXVBNU-UHFFFAOYSA-N
MW99.07 g/mol
LogP1.18
Rot. Bonds

About 3H-pyrrol-2-ylphosphane

3H-pyrrol-2-ylphosphane (PubChem CID 58258235) has the molecular formula C4H6NP and a molecular weight of 99.07 g/mol. Its IUPAC name is 3H-pyrrol-2-ylphosphane.

Molecular Properties

Compound Name3H-pyrrol-2-ylphosphane
PubChem CID58258235
Molecular FormulaC4H6NP
Molecular Weight99.07 g/mol
Exact Mass99.02
IUPAC Name3H-pyrrol-2-ylphosphane
SMILESPC1=NC=CC1
InChIInChI=1S/C4H6NP/c6-4-2-1-3-5-4/h1,3H,2,6H2
InChIKeyBAGJCYCAKXVBNU-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.07
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-2-ylphosphane?
The IUPAC name of 3H-pyrrol-2-ylphosphane (CID 58258235) is 3H-pyrrol-2-ylphosphane.
What is the SMILES notation for 3H-pyrrol-2-ylphosphane?
The canonical SMILES for 3H-pyrrol-2-ylphosphane is PC1=NC=CC1.
What is the InChIKey of 3H-pyrrol-2-ylphosphane?
The InChIKey is BAGJCYCAKXVBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NP/c6-4-2-1-3-5-4/h1,3H,2,6H2.
What are the key properties of 3H-pyrrol-2-ylphosphane?
3H-pyrrol-2-ylphosphane has a molecular weight of 99.07 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-2-ylphosphane is sourced from PubChem (CID 58258235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).