2-cyclopropyl-6-methoxy-1H-indole

C12H13NO — CID 69186205

IUPAC2-cyclopropyl-6-methoxy-1H-indole
SMILESCOc1ccc2cc(C3CC3)[nH]c2c1
InChIInChI=1S/C12H13NO/c1-14-10-5-4-9-6-11(8-2-3-8)13-12(9)7-10/h4-8,13H,2-3H2,1H3
InChIKeyVPAZJEPIFZFFFZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.05
Rot. Bonds2

About 2-cyclopropyl-6-methoxy-1H-indole

2-cyclopropyl-6-methoxy-1H-indole (PubChem CID 69186205) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-1H-indole.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-1H-indole
PubChem CID69186205
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-cyclopropyl-6-methoxy-1H-indole
SMILESCOc1ccc2cc(C3CC3)[nH]c2c1
InChIInChI=1S/C12H13NO/c1-14-10-5-4-9-6-11(8-2-3-8)13-12(9)7-10/h4-8,13H,2-3H2,1H3
InChIKeyVPAZJEPIFZFFFZ-UHFFFAOYSA-N
XLogP3.05
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-1H-indole?
The IUPAC name of 2-cyclopropyl-6-methoxy-1H-indole (CID 69186205) is 2-cyclopropyl-6-methoxy-1H-indole.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-1H-indole?
The canonical SMILES for 2-cyclopropyl-6-methoxy-1H-indole is COc1ccc2cc(C3CC3)[nH]c2c1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-1H-indole?
The InChIKey is VPAZJEPIFZFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-10-5-4-9-6-11(8-2-3-8)13-12(9)7-10/h4-8,13H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-6-methoxy-1H-indole?
2-cyclopropyl-6-methoxy-1H-indole has a molecular weight of 187.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-1H-indole is sourced from PubChem (CID 69186205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).