3-dimethylphosphoryl-1,5-dimethylindole

C12H16NOP — CID 170792902

IUPAC3-dimethylphosphoryl-1,5-dimethylindole
SMILESCc1ccc2c(c1)c(P(C)(C)=O)cn2C
InChIInChI=1S/C12H16NOP/c1-9-5-6-11-10(7-9)12(8-13(11)2)15(3,4)14/h5-8H,1-4H3
InChIKeyMYHSKUSFNQAPHX-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.73
Rot. Bonds1

About 3-dimethylphosphoryl-1,5-dimethylindole

3-dimethylphosphoryl-1,5-dimethylindole (PubChem CID 170792902) has the molecular formula C12H16NOP and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-dimethylphosphoryl-1,5-dimethylindole.

Molecular Properties

Compound Name3-dimethylphosphoryl-1,5-dimethylindole
PubChem CID170792902
Molecular FormulaC12H16NOP
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-dimethylphosphoryl-1,5-dimethylindole
SMILESCc1ccc2c(c1)c(P(C)(C)=O)cn2C
InChIInChI=1S/C12H16NOP/c1-9-5-6-11-10(7-9)12(8-13(11)2)15(3,4)14/h5-8H,1-4H3
InChIKeyMYHSKUSFNQAPHX-UHFFFAOYSA-N
XLogP2.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethylindole-3-carbaldehyde
CID 1419073
N,1,5-trimethylindole-3-carboxamide
CID 25149961
3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
CID 138983603
1,5-dimethylindole-3-carboxamide
CID 119084556
(1,5-dimethylindol-3-yl)-trimethylsilane
CID 177415171
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
ethane;3-fluoro-1,5-dimethylindole;propane
CID 176703204
cyclopropyl-(1,5-dimethylindol-3-yl)methanone
CID 82278819
1,6-dimethylquinolin-4-one;ethane
CID 144950018
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
3-(4-bromophenyl)-1,6-dimethylquinolin-4-one
CID 166443946
3-(4-chlorophenyl)-1,6-dimethylquinolin-4-one
CID 166443945

Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphoryl-1,5-dimethylindole?
The IUPAC name of 3-dimethylphosphoryl-1,5-dimethylindole (CID 170792902) is 3-dimethylphosphoryl-1,5-dimethylindole.
What is the SMILES notation for 3-dimethylphosphoryl-1,5-dimethylindole?
The canonical SMILES for 3-dimethylphosphoryl-1,5-dimethylindole is Cc1ccc2c(c1)c(P(C)(C)=O)cn2C.
What is the InChIKey of 3-dimethylphosphoryl-1,5-dimethylindole?
The InChIKey is MYHSKUSFNQAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NOP/c1-9-5-6-11-10(7-9)12(8-13(11)2)15(3,4)14/h5-8H,1-4H3.
What are the key properties of 3-dimethylphosphoryl-1,5-dimethylindole?
3-dimethylphosphoryl-1,5-dimethylindole has a molecular weight of 221.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryl-1,5-dimethylindole is sourced from PubChem (CID 170792902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).