1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone

C14H19NO — CID 90364843

IUPAC1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
SMILESCC(=O)C1=CN(C)C2C=C(C(C)C)C=CC12
InChIInChI=1S/C14H19NO/c1-9(2)11-5-6-12-13(10(3)16)8-15(4)14(12)7-11/h5-9,12,14H,1-4H3
InChIKeyWVBOZVDXELIAAL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.54
Rot. Bonds2

About 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone

1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone (PubChem CID 90364843) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
PubChem CID90364843
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
SMILESCC(=O)C1=CN(C)C2C=C(C(C)C)C=CC12
InChIInChI=1S/C14H19NO/c1-9(2)11-5-6-12-13(10(3)16)8-15(4)14(12)7-11/h5-9,12,14H,1-4H3
InChIKeyWVBOZVDXELIAAL-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
The IUPAC name of 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone (CID 90364843) is 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
The canonical SMILES for 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone is CC(=O)C1=CN(C)C2C=C(C(C)C)C=CC12.
What is the InChIKey of 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
The InChIKey is WVBOZVDXELIAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)11-5-6-12-13(10(3)16)8-15(4)14(12)7-11/h5-9,12,14H,1-4H3.
What are the key properties of 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone is sourced from PubChem (CID 90364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).