1-methyl-2,3-dihydrophosphindole 1-oxide

C9H11OP — CID 13169931

IUPAC1-methyl-2,3-dihydrophosphindole 1-oxide
SMILESCP1(=O)CCc2ccccc21
InChIInChI=1S/C9H11OP/c1-11(10)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyKMSJKCSIJYHJTJ-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.86
Rot. Bonds

About 1-methyl-2,3-dihydrophosphindole 1-oxide

1-methyl-2,3-dihydrophosphindole 1-oxide (PubChem CID 13169931) has the molecular formula C9H11OP and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-methyl-2,3-dihydrophosphindole 1-oxide.

Molecular Properties

Compound Name1-methyl-2,3-dihydrophosphindole 1-oxide
PubChem CID13169931
Molecular FormulaC9H11OP
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name1-methyl-2,3-dihydrophosphindole 1-oxide
SMILESCP1(=O)CCc2ccccc21
InChIInChI=1S/C9H11OP/c1-11(10)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyKMSJKCSIJYHJTJ-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydrophosphindole 1-oxide?
The IUPAC name of 1-methyl-2,3-dihydrophosphindole 1-oxide (CID 13169931) is 1-methyl-2,3-dihydrophosphindole 1-oxide.
What is the SMILES notation for 1-methyl-2,3-dihydrophosphindole 1-oxide?
The canonical SMILES for 1-methyl-2,3-dihydrophosphindole 1-oxide is CP1(=O)CCc2ccccc21.
What is the InChIKey of 1-methyl-2,3-dihydrophosphindole 1-oxide?
The InChIKey is KMSJKCSIJYHJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11OP/c1-11(10)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3.
What are the key properties of 1-methyl-2,3-dihydrophosphindole 1-oxide?
1-methyl-2,3-dihydrophosphindole 1-oxide has a molecular weight of 166.16 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydrophosphindole 1-oxide is sourced from PubChem (CID 13169931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).