1,5-dimethyl-3-(oxan-4-yl)indole

C15H19NO — CID 170793056

IUPAC1,5-dimethyl-3-(oxan-4-yl)indole
SMILESCc1ccc2c(c1)c(C1CCOCC1)cn2C
InChIInChI=1S/C15H19NO/c1-11-3-4-15-13(9-11)14(10-16(15)2)12-5-7-17-8-6-12/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyFAOSBXLMRZVRHT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.38
Rot. Bonds1

About 1,5-dimethyl-3-(oxan-4-yl)indole

1,5-dimethyl-3-(oxan-4-yl)indole (PubChem CID 170793056) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(oxan-4-yl)indole.

Molecular Properties

Compound Name1,5-dimethyl-3-(oxan-4-yl)indole
PubChem CID170793056
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1,5-dimethyl-3-(oxan-4-yl)indole
SMILESCc1ccc2c(c1)c(C1CCOCC1)cn2C
InChIInChI=1S/C15H19NO/c1-11-3-4-15-13(9-11)14(10-16(15)2)12-5-7-17-8-6-12/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyFAOSBXLMRZVRHT-UHFFFAOYSA-N
XLogP3.38
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(oxan-4-yl)indole?
The IUPAC name of 1,5-dimethyl-3-(oxan-4-yl)indole (CID 170793056) is 1,5-dimethyl-3-(oxan-4-yl)indole.
What is the SMILES notation for 1,5-dimethyl-3-(oxan-4-yl)indole?
The canonical SMILES for 1,5-dimethyl-3-(oxan-4-yl)indole is Cc1ccc2c(c1)c(C1CCOCC1)cn2C.
What is the InChIKey of 1,5-dimethyl-3-(oxan-4-yl)indole?
The InChIKey is FAOSBXLMRZVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-3-4-15-13(9-11)14(10-16(15)2)12-5-7-17-8-6-12/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(oxan-4-yl)indole?
1,5-dimethyl-3-(oxan-4-yl)indole has a molecular weight of 229.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(oxan-4-yl)indole is sourced from PubChem (CID 170793056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).