5-cyclopropyl-2-methyl-1H-indole

C12H13N — CID 119091530

IUPAC5-cyclopropyl-2-methyl-1H-indole
SMILESCc1cc2cc(C3CC3)ccc2[nH]1
InChIInChI=1S/C12H13N/c1-8-6-11-7-10(9-2-3-9)4-5-12(11)13-8/h4-7,9,13H,2-3H2,1H3
InChIKeyTYGZTGOPTJHWAN-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.35
Rot. Bonds1

About 5-cyclopropyl-2-methyl-1H-indole

5-cyclopropyl-2-methyl-1H-indole (PubChem CID 119091530) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1H-indole.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1H-indole
PubChem CID119091530
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name5-cyclopropyl-2-methyl-1H-indole
SMILESCc1cc2cc(C3CC3)ccc2[nH]1
InChIInChI=1S/C12H13N/c1-8-6-11-7-10(9-2-3-9)4-5-12(11)13-8/h4-7,9,13H,2-3H2,1H3
InChIKeyTYGZTGOPTJHWAN-UHFFFAOYSA-N
XLogP3.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-1H-indole?
The IUPAC name of 5-cyclopropyl-2-methyl-1H-indole (CID 119091530) is 5-cyclopropyl-2-methyl-1H-indole.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1H-indole?
The canonical SMILES for 5-cyclopropyl-2-methyl-1H-indole is Cc1cc2cc(C3CC3)ccc2[nH]1.
What is the InChIKey of 5-cyclopropyl-2-methyl-1H-indole?
The InChIKey is TYGZTGOPTJHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-6-11-7-10(9-2-3-9)4-5-12(11)13-8/h4-7,9,13H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-1H-indole?
5-cyclopropyl-2-methyl-1H-indole has a molecular weight of 171.24 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1H-indole is sourced from PubChem (CID 119091530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).