2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole

C12H17N — CID 82276811

IUPAC2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC1Cc2cccc(C(C)C)c2N1
InChIInChI=1S/C12H17N/c1-8(2)11-6-4-5-10-7-9(3)13-12(10)11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyFEGFUWKKBIGZBZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.17
Rot. Bonds1

About 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole

2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 82276811) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID82276811
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC1Cc2cccc(C(C)C)c2N1
InChIInChI=1S/C12H17N/c1-8(2)11-6-4-5-10-7-9(3)13-12(10)11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyFEGFUWKKBIGZBZ-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole (CID 82276811) is 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole is CC1Cc2cccc(C(C)C)c2N1.
What is the InChIKey of 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is FEGFUWKKBIGZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)11-6-4-5-10-7-9(3)13-12(10)11/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole?
2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 175.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 82276811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).