3-methyl-1-propyl-2,5-dihydrophosphole

C8H15P — CID 15779674

IUPAC3-methyl-1-propyl-2,5-dihydrophosphole
SMILESCCCP1CC=C(C)C1
InChIInChI=1S/C8H15P/c1-3-5-9-6-4-8(2)7-9/h4H,3,5-7H2,1-2H3
InChIKeyZERMHNVGNVTAQP-UHFFFAOYSA-N
MW142.18 g/mol
LogP2.84
Rot. Bonds2

About 3-methyl-1-propyl-2,5-dihydrophosphole

3-methyl-1-propyl-2,5-dihydrophosphole (PubChem CID 15779674) has the molecular formula C8H15P and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-methyl-1-propyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name3-methyl-1-propyl-2,5-dihydrophosphole
PubChem CID15779674
Molecular FormulaC8H15P
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-methyl-1-propyl-2,5-dihydrophosphole
SMILESCCCP1CC=C(C)C1
InChIInChI=1S/C8H15P/c1-3-5-9-6-4-8(2)7-9/h4H,3,5-7H2,1-2H3
InChIKeyZERMHNVGNVTAQP-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.84
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-1-propyl-2,5-dihydrophosphole?
The IUPAC name of 3-methyl-1-propyl-2,5-dihydrophosphole (CID 15779674) is 3-methyl-1-propyl-2,5-dihydrophosphole.
What is the SMILES notation for 3-methyl-1-propyl-2,5-dihydrophosphole?
The canonical SMILES for 3-methyl-1-propyl-2,5-dihydrophosphole is CCCP1CC=C(C)C1.
What is the InChIKey of 3-methyl-1-propyl-2,5-dihydrophosphole?
The InChIKey is ZERMHNVGNVTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15P/c1-3-5-9-6-4-8(2)7-9/h4H,3,5-7H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-2,5-dihydrophosphole?
3-methyl-1-propyl-2,5-dihydrophosphole has a molecular weight of 142.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-2,5-dihydrophosphole is sourced from PubChem (CID 15779674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).