2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole

C13H19NO — CID 151869351

IUPAC2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole
SMILESC1=CCC2CC(C3CCCCO3)NC2=C1
InChIInChI=1S/C13H19NO/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-15-13/h1-2,6,10,12-14H,3-5,7-9H2
InChIKeySMIYDVRYHRACDG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds1

About 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole

2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole (PubChem CID 151869351) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole
PubChem CID151869351
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole
SMILESC1=CCC2CC(C3CCCCO3)NC2=C1
InChIInChI=1S/C13H19NO/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-15-13/h1-2,6,10,12-14H,3-5,7-9H2
InChIKeySMIYDVRYHRACDG-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3,3a,4-tetrahydro-1H-indole-2-carbonylimino)-2,3,3a,4-tetrahydro-1H-indole-2-carboxamide
CID 175409928
5-(oxan-2-yl)pyrrolidin-3-ol
CID 164650303
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
2,3,3a,4-tetrahydro-1H-indazole
CID 22078070
4-methyl-2-(oxolan-2-yl)piperidine
CID 130533417
3,3a,4,8,8a,8b-hexahydrocyclopenta[b]indole
CID 173177075
2,3,4,5,5a,6-hexahydro-1H-1-benzazepin-3-amine
CID 172719182
3,4,4a,5-tetrahydro-1,2-benzodioxine
CID 87369437
2,3,3a,4-tetrahydro-1H-benzimidazole-2-thiol
CID 87279684
3-(oxan-2-yl)oxiran-2-one
CID 173079645
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)oxane
CID 167480833

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole?
The IUPAC name of 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole (CID 151869351) is 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole.
What is the SMILES notation for 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole?
The canonical SMILES for 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole is C1=CCC2CC(C3CCCCO3)NC2=C1.
What is the InChIKey of 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole?
The InChIKey is SMIYDVRYHRACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-15-13/h1-2,6,10,12-14H,3-5,7-9H2.
What are the key properties of 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole?
2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole has a molecular weight of 205.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole is sourced from PubChem (CID 151869351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).