2-methyl-5-(oxan-4-yl)-3H-indole

C14H17NO — CID 159566963

IUPAC2-methyl-5-(oxan-4-yl)-3H-indole
SMILESCC1=Nc2ccc(C3CCOCC3)cc2C1
InChIInChI=1S/C14H17NO/c1-10-8-13-9-12(2-3-14(13)15-10)11-4-6-16-7-5-11/h2-3,9,11H,4-8H2,1H3
InChIKeyXBFMKZLXUNUWME-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.23
Rot. Bonds1

About 2-methyl-5-(oxan-4-yl)-3H-indole

2-methyl-5-(oxan-4-yl)-3H-indole (PubChem CID 159566963) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-5-(oxan-4-yl)-3H-indole.

Molecular Properties

Compound Name2-methyl-5-(oxan-4-yl)-3H-indole
PubChem CID159566963
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-5-(oxan-4-yl)-3H-indole
SMILESCC1=Nc2ccc(C3CCOCC3)cc2C1
InChIInChI=1S/C14H17NO/c1-10-8-13-9-12(2-3-14(13)15-10)11-4-6-16-7-5-11/h2-3,9,11H,4-8H2,1H3
InChIKeyXBFMKZLXUNUWME-UHFFFAOYSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-4-yl)-3H-indole?
The IUPAC name of 2-methyl-5-(oxan-4-yl)-3H-indole (CID 159566963) is 2-methyl-5-(oxan-4-yl)-3H-indole.
What is the SMILES notation for 2-methyl-5-(oxan-4-yl)-3H-indole?
The canonical SMILES for 2-methyl-5-(oxan-4-yl)-3H-indole is CC1=Nc2ccc(C3CCOCC3)cc2C1.
What is the InChIKey of 2-methyl-5-(oxan-4-yl)-3H-indole?
The InChIKey is XBFMKZLXUNUWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-8-13-9-12(2-3-14(13)15-10)11-4-6-16-7-5-11/h2-3,9,11H,4-8H2,1H3.
What are the key properties of 2-methyl-5-(oxan-4-yl)-3H-indole?
2-methyl-5-(oxan-4-yl)-3H-indole has a molecular weight of 215.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-4-yl)-3H-indole is sourced from PubChem (CID 159566963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).