[(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate

C15H17NO2 — CID 70345277

IUPAC[(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCc2c(cc3ccccn23)C1
InChIInChI=1S/C15H17NO2/c1-11(17)18-10-12-5-6-15-13(8-12)9-14-4-2-3-7-16(14)15/h2-4,7,9,12H,5-6,8,10H2,1H3/t12-/m0/s1
InChIKeyFPDRBUFJDIYPIZ-LBPRGKRZSA-N
MW243.31 g/mol
LogP2.61
Rot. Bonds2

About [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate

[(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate (PubChem CID 70345277) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate
PubChem CID70345277
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCc2c(cc3ccccn23)C1
InChIInChI=1S/C15H17NO2/c1-11(17)18-10-12-5-6-15-13(8-12)9-14-4-2-3-7-16(14)15/h2-4,7,9,12H,5-6,8,10H2,1H3/t12-/m0/s1
InChIKeyFPDRBUFJDIYPIZ-LBPRGKRZSA-N
XLogP2.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate?
The IUPAC name of [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate (CID 70345277) is [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate?
The canonical SMILES for [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate is CC(=O)OC[C@H]1CCc2c(cc3ccccn23)C1.
What is the InChIKey of [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate?
The InChIKey is FPDRBUFJDIYPIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(17)18-10-12-5-6-15-13(8-12)9-14-4-2-3-7-16(14)15/h2-4,7,9,12H,5-6,8,10H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate?
[(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate has a molecular weight of 243.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,2,3,4-tetrahydropyrido[1,2-a]indol-2-yl]methyl acetate is sourced from PubChem (CID 70345277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).