6-cyclopropyl-1-methylindole

C12H13N — CID 121280278

IUPAC6-cyclopropyl-1-methylindole
SMILESCn1ccc2ccc(C3CC3)cc21
InChIInChI=1S/C12H13N/c1-13-7-6-10-4-5-11(8-12(10)13)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeySZQVUHDYDJTERQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.06
Rot. Bonds1

About 6-cyclopropyl-1-methylindole

6-cyclopropyl-1-methylindole (PubChem CID 121280278) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-cyclopropyl-1-methylindole.

Molecular Properties

Compound Name6-cyclopropyl-1-methylindole
PubChem CID121280278
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name6-cyclopropyl-1-methylindole
SMILESCn1ccc2ccc(C3CC3)cc21
InChIInChI=1S/C12H13N/c1-13-7-6-10-4-5-11(8-12(10)13)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeySZQVUHDYDJTERQ-UHFFFAOYSA-N
XLogP3.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methylindole?
The IUPAC name of 6-cyclopropyl-1-methylindole (CID 121280278) is 6-cyclopropyl-1-methylindole.
What is the SMILES notation for 6-cyclopropyl-1-methylindole?
The canonical SMILES for 6-cyclopropyl-1-methylindole is Cn1ccc2ccc(C3CC3)cc21.
What is the InChIKey of 6-cyclopropyl-1-methylindole?
The InChIKey is SZQVUHDYDJTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-13-7-6-10-4-5-11(8-12(10)13)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of 6-cyclopropyl-1-methylindole?
6-cyclopropyl-1-methylindole has a molecular weight of 171.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methylindole is sourced from PubChem (CID 121280278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).