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

C5H8ClP — CID 2784489

IUPAC1-chloro-3-methyl-2,5-dihydrophosphole
SMILESCC1=CCP(Cl)C1
InChIInChI=1S/C5H8ClP/c1-5-2-3-7(6)4-5/h2H,3-4H2,1H3
InChIKeyHUMPNEBBCNEZKL-UHFFFAOYSA-N
MW134.55 g/mol
LogP2.58
Rot. Bonds

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

1-chloro-3-methyl-2,5-dihydrophosphole (PubChem CID 2784489) has the molecular formula C5H8ClP and a molecular weight of 134.55 g/mol. Its IUPAC name is 1-chloro-3-methyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1-chloro-3-methyl-2,5-dihydrophosphole
PubChem CID2784489
Molecular FormulaC5H8ClP
Molecular Weight134.55 g/mol
Exact Mass134.01
IUPAC Name1-chloro-3-methyl-2,5-dihydrophosphole
SMILESCC1=CCP(Cl)C1
InChIInChI=1S/C5H8ClP/c1-5-2-3-7(6)4-5/h2H,3-4H2,1H3
InChIKeyHUMPNEBBCNEZKL-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.55
LogP ≤ 52.58
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-chloro-3-methyl-2,5-dihydrophosphole?
The IUPAC name of 1-chloro-3-methyl-2,5-dihydrophosphole (CID 2784489) is 1-chloro-3-methyl-2,5-dihydrophosphole.
What is the SMILES notation for 1-chloro-3-methyl-2,5-dihydrophosphole?
The canonical SMILES for 1-chloro-3-methyl-2,5-dihydrophosphole is CC1=CCP(Cl)C1.
What is the InChIKey of 1-chloro-3-methyl-2,5-dihydrophosphole?
The InChIKey is HUMPNEBBCNEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClP/c1-5-2-3-7(6)4-5/h2H,3-4H2,1H3.
What are the key properties of 1-chloro-3-methyl-2,5-dihydrophosphole?
1-chloro-3-methyl-2,5-dihydrophosphole has a molecular weight of 134.55 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2,5-dihydrophosphole is sourced from PubChem (CID 2784489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).