5-ethyl-1,3-dimethyl-2,3-dihydroindole

C12H17N — CID 58525500

IUPAC5-ethyl-1,3-dimethyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)C(C)CN2C
InChIInChI=1S/C12H17N/c1-4-10-5-6-12-11(7-10)9(2)8-13(12)3/h5-7,9H,4,8H2,1-3H3
InChIKeyRATGUZGBDKXNBK-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.80
Rot. Bonds1

About 5-ethyl-1,3-dimethyl-2,3-dihydroindole

5-ethyl-1,3-dimethyl-2,3-dihydroindole (PubChem CID 58525500) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-2,3-dihydroindole
PubChem CID58525500
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-ethyl-1,3-dimethyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)C(C)CN2C
InChIInChI=1S/C12H17N/c1-4-10-5-6-12-11(7-10)9(2)8-13(12)3/h5-7,9H,4,8H2,1-3H3
InChIKeyRATGUZGBDKXNBK-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethyl-2,3-dihydroindole?
The IUPAC name of 5-ethyl-1,3-dimethyl-2,3-dihydroindole (CID 58525500) is 5-ethyl-1,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for 5-ethyl-1,3-dimethyl-2,3-dihydroindole is CCc1ccc2c(c1)C(C)CN2C.
What is the InChIKey of 5-ethyl-1,3-dimethyl-2,3-dihydroindole?
The InChIKey is RATGUZGBDKXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10-5-6-12-11(7-10)9(2)8-13(12)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 5-ethyl-1,3-dimethyl-2,3-dihydroindole?
5-ethyl-1,3-dimethyl-2,3-dihydroindole has a molecular weight of 175.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 58525500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).