2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole

C15H19NO — CID 156516405

IUPAC2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
SMILESCCC(C)c1cc2c3c(ccc2[nH]1)OCCC3
InChIInChI=1S/C15H19NO/c1-3-10(2)14-9-12-11-5-4-8-17-15(11)7-6-13(12)16-14/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyHCYVAXGRLHJEON-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.01
Rot. Bonds2

About 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole

2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole (PubChem CID 156516405) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole.

Molecular Properties

Compound Name2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
PubChem CID156516405
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
SMILESCCC(C)c1cc2c3c(ccc2[nH]1)OCCC3
InChIInChI=1S/C15H19NO/c1-3-10(2)14-9-12-11-5-4-8-17-15(11)7-6-13(12)16-14/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyHCYVAXGRLHJEON-UHFFFAOYSA-N
XLogP4.01
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole?
The IUPAC name of 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole (CID 156516405) is 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole.
What is the SMILES notation for 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole?
The canonical SMILES for 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole is CCC(C)c1cc2c3c(ccc2[nH]1)OCCC3.
What is the InChIKey of 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole?
The InChIKey is HCYVAXGRLHJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-10(2)14-9-12-11-5-4-8-17-15(11)7-6-13(12)16-14/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole?
2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole has a molecular weight of 229.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole is sourced from PubChem (CID 156516405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).