1,3,4-trimethyl-2,5-dihydrophosphole

C7H13P — CID 12706087

IUPAC1,3,4-trimethyl-2,5-dihydrophosphole
SMILESCC1=C(C)CP(C)C1
InChIInChI=1S/C7H13P/c1-6-4-8(3)5-7(6)2/h4-5H2,1-3H3
InChIKeyQRMJYIOJSLMVLF-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.45
Rot. Bonds

About 1,3,4-trimethyl-2,5-dihydrophosphole

1,3,4-trimethyl-2,5-dihydrophosphole (PubChem CID 12706087) has the molecular formula C7H13P and a molecular weight of 128.15 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1,3,4-trimethyl-2,5-dihydrophosphole
PubChem CID12706087
Molecular FormulaC7H13P
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Name1,3,4-trimethyl-2,5-dihydrophosphole
SMILESCC1=C(C)CP(C)C1
InChIInChI=1S/C7H13P/c1-6-4-8(3)5-7(6)2/h4-5H2,1-3H3
InChIKeyQRMJYIOJSLMVLF-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.45
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 1,3,4-trimethyl-2,5-dihydrophosphole?
The IUPAC name of 1,3,4-trimethyl-2,5-dihydrophosphole (CID 12706087) is 1,3,4-trimethyl-2,5-dihydrophosphole.
What is the SMILES notation for 1,3,4-trimethyl-2,5-dihydrophosphole?
The canonical SMILES for 1,3,4-trimethyl-2,5-dihydrophosphole is CC1=C(C)CP(C)C1.
What is the InChIKey of 1,3,4-trimethyl-2,5-dihydrophosphole?
The InChIKey is QRMJYIOJSLMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13P/c1-6-4-8(3)5-7(6)2/h4-5H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-2,5-dihydrophosphole?
1,3,4-trimethyl-2,5-dihydrophosphole has a molecular weight of 128.15 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,5-dihydrophosphole is sourced from PubChem (CID 12706087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).