1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide

C4H6ClOP — CID 12514986

IUPAC1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(Cl)CC=CC1
InChIInChI=1S/C4H6ClOP/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
InChIKeyIUCZQRYUSYLIID-UHFFFAOYSA-N
MW136.52 g/mol
LogP2.07
Rot. Bonds

About 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide

1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 12514986) has the molecular formula C4H6ClOP and a molecular weight of 136.52 g/mol. Its IUPAC name is 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID12514986
Molecular FormulaC4H6ClOP
Molecular Weight136.52 g/mol
Exact Mass135.98
IUPAC Name1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(Cl)CC=CC1
InChIInChI=1S/C4H6ClOP/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
InChIKeyIUCZQRYUSYLIID-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.52
LogP ≤ 52.07
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-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide (CID 12514986) is 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide is O=P1(Cl)CC=CC1.
What is the InChIKey of 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is IUCZQRYUSYLIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClOP/c5-7(6)3-1-2-4-7/h1-2H,3-4H2.
What are the key properties of 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide?
1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 136.52 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 12514986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).