2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol

C9H13NO — CID 152565737

IUPAC2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol
SMILESOCC1CC2CC=CC=C2N1
InChIInChI=1S/C9H13NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-2,4,7-8,10-11H,3,5-6H2
InChIKeyYQLARKOINUDVER-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.80
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol

2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol (PubChem CID 152565737) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol
PubChem CID152565737
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol
SMILESOCC1CC2CC=CC=C2N1
InChIInChI=1S/C9H13NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-2,4,7-8,10-11H,3,5-6H2
InChIKeyYQLARKOINUDVER-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol (CID 152565737) is 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol is OCC1CC2CC=CC=C2N1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol?
The InChIKey is YQLARKOINUDVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-2,4,7-8,10-11H,3,5-6H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol?
2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol has a molecular weight of 151.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol is sourced from PubChem (CID 152565737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).