(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone

C15H17NO2 — CID 79757869

IUPAC(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H17NO2/c1-10-11(7-8-18-10)15(17)13-9-16(2)14-6-4-3-5-12(13)14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCYGWHUONJHWXNB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds2

About (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone

(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79757869) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID79757869
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H17NO2/c1-10-11(7-8-18-10)15(17)13-9-16(2)14-6-4-3-5-12(13)14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCYGWHUONJHWXNB-UHFFFAOYSA-N
XLogP2.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone (CID 79757869) is (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is CYGWHUONJHWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-11(7-8-18-10)15(17)13-9-16(2)14-6-4-3-5-12(13)14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone?
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79757869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).