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

C13H17NO — CID 90364844

IUPAC1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
SMILESCC(=O)C1=CN(C(C)C)C2C=CC=CC12
InChIInChI=1S/C13H17NO/c1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14/h4-9,11,13H,1-3H3
InChIKeyDGSOOYWOUUVYFB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.29
Rot. Bonds2

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

1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone (PubChem CID 90364844) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
PubChem CID90364844
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
SMILESCC(=O)C1=CN(C(C)C)C2C=CC=CC12
InChIInChI=1S/C13H17NO/c1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14/h4-9,11,13H,1-3H3
InChIKeyDGSOOYWOUUVYFB-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
The IUPAC name of 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone (CID 90364844) is 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
The canonical SMILES for 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone is CC(=O)C1=CN(C(C)C)C2C=CC=CC12.
What is the InChIKey of 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
The InChIKey is DGSOOYWOUUVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14/h4-9,11,13H,1-3H3.
What are the key properties of 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone?
1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone is sourced from PubChem (CID 90364844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).