(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole

C12H17N — CID 71387028

IUPAC(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
SMILESCC[C@H]1[C@H](C)c2ccccc2N1C
InChIInChI=1S/C12H17N/c1-4-11-9(2)10-7-5-6-8-12(10)13(11)3/h5-9,11H,4H2,1-3H3/t9-,11+/m1/s1
InChIKeyRDDCYJPOAGMUAE-KOLCDFICSA-N
MW175.28 g/mol
LogP3.02
Rot. Bonds1

About (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole

(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole (PubChem CID 71387028) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
PubChem CID71387028
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
SMILESCC[C@H]1[C@H](C)c2ccccc2N1C
InChIInChI=1S/C12H17N/c1-4-11-9(2)10-7-5-6-8-12(10)13(11)3/h5-9,11H,4H2,1-3H3/t9-,11+/m1/s1
InChIKeyRDDCYJPOAGMUAE-KOLCDFICSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole?
The IUPAC name of (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole (CID 71387028) is (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole is CC[C@H]1[C@H](C)c2ccccc2N1C.
What is the InChIKey of (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole?
The InChIKey is RDDCYJPOAGMUAE-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17N/c1-4-11-9(2)10-7-5-6-8-12(10)13(11)3/h5-9,11H,4H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole?
(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole has a molecular weight of 175.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 71387028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).