1-methyl-4-propan-2-yl-3a,4-dihydroindole

C12H17N — CID 134294060

IUPAC1-methyl-4-propan-2-yl-3a,4-dihydroindole
SMILESCC(C)C1C=CC=C2C1C=CN2C
InChIInChI=1S/C12H17N/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3/h4-11H,1-3H3
InChIKeyAZHMYOCGOGXFMV-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.79
Rot. Bonds1

About 1-methyl-4-propan-2-yl-3a,4-dihydroindole

1-methyl-4-propan-2-yl-3a,4-dihydroindole (PubChem CID 134294060) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-3a,4-dihydroindole.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-3a,4-dihydroindole
PubChem CID134294060
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-methyl-4-propan-2-yl-3a,4-dihydroindole
SMILESCC(C)C1C=CC=C2C1C=CN2C
InChIInChI=1S/C12H17N/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3/h4-11H,1-3H3
InChIKeyAZHMYOCGOGXFMV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-3a,4-dihydroindole?
The IUPAC name of 1-methyl-4-propan-2-yl-3a,4-dihydroindole (CID 134294060) is 1-methyl-4-propan-2-yl-3a,4-dihydroindole.
What is the SMILES notation for 1-methyl-4-propan-2-yl-3a,4-dihydroindole?
The canonical SMILES for 1-methyl-4-propan-2-yl-3a,4-dihydroindole is CC(C)C1C=CC=C2C1C=CN2C.
What is the InChIKey of 1-methyl-4-propan-2-yl-3a,4-dihydroindole?
The InChIKey is AZHMYOCGOGXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)10-5-4-6-12-11(10)7-8-13(12)3/h4-11H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-3a,4-dihydroindole?
1-methyl-4-propan-2-yl-3a,4-dihydroindole has a molecular weight of 175.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-3a,4-dihydroindole is sourced from PubChem (CID 134294060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).