3-methyl-2,5-dihydro-1H-phosphole

C5H9P — CID 90698444

IUPAC3-methyl-2,5-dihydro-1H-phosphole
SMILESCC1=CCPC1
InChIInChI=1S/C5H9P/c1-5-2-3-6-4-5/h2,6H,3-4H2,1H3
InChIKeyWZDRQIIEUQLOLD-UHFFFAOYSA-N
MW100.10 g/mol
LogP1.62
Rot. Bonds

About 3-methyl-2,5-dihydro-1H-phosphole

3-methyl-2,5-dihydro-1H-phosphole (PubChem CID 90698444) has the molecular formula C5H9P and a molecular weight of 100.10 g/mol. Its IUPAC name is 3-methyl-2,5-dihydro-1H-phosphole.

Molecular Properties

Compound Name3-methyl-2,5-dihydro-1H-phosphole
PubChem CID90698444
Molecular FormulaC5H9P
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name3-methyl-2,5-dihydro-1H-phosphole
SMILESCC1=CCPC1
InChIInChI=1S/C5H9P/c1-5-2-3-6-4-5/h2,6H,3-4H2,1H3
InChIKeyWZDRQIIEUQLOLD-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydro-1H-phosphole?
The IUPAC name of 3-methyl-2,5-dihydro-1H-phosphole (CID 90698444) is 3-methyl-2,5-dihydro-1H-phosphole.
What is the SMILES notation for 3-methyl-2,5-dihydro-1H-phosphole?
The canonical SMILES for 3-methyl-2,5-dihydro-1H-phosphole is CC1=CCPC1.
What is the InChIKey of 3-methyl-2,5-dihydro-1H-phosphole?
The InChIKey is WZDRQIIEUQLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9P/c1-5-2-3-6-4-5/h2,6H,3-4H2,1H3.
What are the key properties of 3-methyl-2,5-dihydro-1H-phosphole?
3-methyl-2,5-dihydro-1H-phosphole has a molecular weight of 100.10 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dihydro-1H-phosphole is sourced from PubChem (CID 90698444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).