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

C7H13P — CID 18974455

IUPAC1-ethyl-3-methyl-2,5-dihydrophosphole
SMILESCCP1CC=C(C)C1
InChIInChI=1S/C7H13P/c1-3-8-5-4-7(2)6-8/h4H,3,5-6H2,1-2H3
InChIKeyUJSLNGVAIRKKTF-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.45
Rot. Bonds1

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

1-ethyl-3-methyl-2,5-dihydrophosphole (PubChem CID 18974455) has the molecular formula C7H13P and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1-ethyl-3-methyl-2,5-dihydrophosphole
PubChem CID18974455
Molecular FormulaC7H13P
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Name1-ethyl-3-methyl-2,5-dihydrophosphole
SMILESCCP1CC=C(C)C1
InChIInChI=1S/C7H13P/c1-3-8-5-4-7(2)6-8/h4H,3,5-6H2,1-2H3
InChIKeyUJSLNGVAIRKKTF-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Related Compounds

1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide
CID 84920
2,5-Dihydro-1-methyl-1H-phosphole
CID 567830
1H-Phosphole, 1-chloro-2,5-dihydro-3-methyl-
CID 2784489
1,3,4-Trimethyl-2,5-dihydro-1H-phosphole
CID 12706087
1-Ethyl-3-methyl-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
CID 15306198
1,3-Dimethyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 14062608
1,1,1-Trichloro-3-methyl-2,5-dihydro-1lambda5-phosphole
CID 11041900
3,4-dimethyl-2H-phosphole
CID 12154864
1-Ethyl-3-methyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosphole
CID 18968282
3-Methyl-3-phospholene
CID 90698444
Phosphorane, trimethyl(2-methylallylidene)-
CID 141468
1H-Phosphole, 2,5-dihydro-1,3-dimethyl-
CID 567441

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2,5-dihydrophosphole?
The IUPAC name of 1-ethyl-3-methyl-2,5-dihydrophosphole (CID 18974455) is 1-ethyl-3-methyl-2,5-dihydrophosphole.
What is the SMILES notation for 1-ethyl-3-methyl-2,5-dihydrophosphole?
The canonical SMILES for 1-ethyl-3-methyl-2,5-dihydrophosphole is CCP1CC=C(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-2,5-dihydrophosphole?
The InChIKey is UJSLNGVAIRKKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13P/c1-3-8-5-4-7(2)6-8/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2,5-dihydrophosphole?
1-ethyl-3-methyl-2,5-dihydrophosphole has a molecular weight of 128.15 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2,5-dihydrophosphole is sourced from PubChem (CID 18974455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).