3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole

C12H16N2O — CID 166944307

IUPAC3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole
SMILESCC(C)(CC1CNc2ccccc21)N=O
InChIInChI=1S/C12H16N2O/c1-12(2,14-15)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyMQFHRVSPVGLYNP-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.13
Rot. Bonds3

About 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole

3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole (PubChem CID 166944307) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole
PubChem CID166944307
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole
SMILESCC(C)(CC1CNc2ccccc21)N=O
InChIInChI=1S/C12H16N2O/c1-12(2,14-15)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyMQFHRVSPVGLYNP-UHFFFAOYSA-N
XLogP3.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole (CID 166944307) is 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole is CC(C)(CC1CNc2ccccc21)N=O.
What is the InChIKey of 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole?
The InChIKey is MQFHRVSPVGLYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,14-15)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole?
3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole has a molecular weight of 204.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2-nitrosopropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 166944307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).