1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide

C5H8ClOP — CID 2784487

IUPAC1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
SMILESCC1=CCP(=O)(Cl)C1
InChIInChI=1S/C5H8ClOP/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3
InChIKeySEELALQWTFWSMS-UHFFFAOYSA-N
MW150.55 g/mol
LogP2.46
Rot. Bonds

About 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide

1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide (PubChem CID 2784487) has the molecular formula C5H8ClOP and a molecular weight of 150.55 g/mol. Its IUPAC name is 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide.

Molecular Properties

Compound Name1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
PubChem CID2784487
Molecular FormulaC5H8ClOP
Molecular Weight150.55 g/mol
Exact Mass150.00
IUPAC Name1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
SMILESCC1=CCP(=O)(Cl)C1
InChIInChI=1S/C5H8ClOP/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3
InChIKeySEELALQWTFWSMS-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
The IUPAC name of 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide (CID 2784487) is 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide.
What is the SMILES notation for 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
The canonical SMILES for 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide is CC1=CCP(=O)(Cl)C1.
What is the InChIKey of 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
The InChIKey is SEELALQWTFWSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClOP/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3.
What are the key properties of 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide?
1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide has a molecular weight of 150.55 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide is sourced from PubChem (CID 2784487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).