1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one

C16H19NO2 — CID 65154773

IUPAC1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)CCC1CCCO1
InChIInChI=1S/C16H19NO2/c1-11-16(13-6-2-3-7-14(13)17-11)15(18)9-8-12-5-4-10-19-12/h2-3,6-7,12,17H,4-5,8-10H2,1H3
InChIKeyTYTJRWYOFLVUIT-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one

1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65154773) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65154773
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)CCC1CCCO1
InChIInChI=1S/C16H19NO2/c1-11-16(13-6-2-3-7-14(13)17-11)15(18)9-8-12-5-4-10-19-12/h2-3,6-7,12,17H,4-5,8-10H2,1H3
InChIKeyTYTJRWYOFLVUIT-UHFFFAOYSA-N
XLogP3.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
3-(oxolan-2-yl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 65154688
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71918656
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 94136572
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one (CID 65154773) is 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)CCC1CCCO1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is TYTJRWYOFLVUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-16(13-6-2-3-7-14(13)17-11)15(18)9-8-12-5-4-10-19-12/h2-3,6-7,12,17H,4-5,8-10H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65154773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).