(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone

C14H15NO2 — CID 61272785

IUPAC(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1CCOC1
InChIInChI=1S/C14H15NO2/c1-9-13(14(16)10-6-7-17-8-10)11-4-2-3-5-12(11)15-9/h2-5,10,15H,6-8H2,1H3
InChIKeyZSYXVIXWWATLNB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.70
Rot. Bonds2

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

(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone (PubChem CID 61272785) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
PubChem CID61272785
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1CCOC1
InChIInChI=1S/C14H15NO2/c1-9-13(14(16)10-6-7-17-8-10)11-4-2-3-5-12(11)15-9/h2-5,10,15H,6-8H2,1H3
InChIKeyZSYXVIXWWATLNB-UHFFFAOYSA-N
XLogP2.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (3R)-oxolane-3-carboxylate
CID 95354546
(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 104518020
CID 170645728
CID 170645728
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82305589
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone (CID 61272785) is (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)C1CCOC1.
What is the InChIKey of (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone?
The InChIKey is ZSYXVIXWWATLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-13(14(16)10-6-7-17-8-10)11-4-2-3-5-12(11)15-9/h2-5,10,15H,6-8H2,1H3.
What are the key properties of (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone?
(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 61272785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).