[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate

C15H17NO3 — CID 10635212

IUPAC[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate
SMILES[2H]C([2H])([2H])OCc1c2n(c3ccccc13)CCC2OC(C)=O
InChIInChI=1S/C15H17NO3/c1-10(17)19-14-7-8-16-13-6-4-3-5-11(13)12(9-18-2)15(14)16/h3-6,14H,7-9H2,1-2H3/i2D3
InChIKeyIPOUIRPSICRWKR-BMSJAHLVSA-N
MW262.32 g/mol
LogP2.80
Rot. Bonds4

About [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate

[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate (PubChem CID 10635212) has the molecular formula C15H17NO3 and a molecular weight of 262.32 g/mol. Its IUPAC name is [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate.

Molecular Properties

Compound Name[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate
PubChem CID10635212
Molecular FormulaC15H17NO3
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate
SMILES[2H]C([2H])([2H])OCc1c2n(c3ccccc13)CCC2OC(C)=O
InChIInChI=1S/C15H17NO3/c1-10(17)19-14-7-8-16-13-6-4-3-5-11(13)12(9-18-2)15(14)16/h3-6,14H,7-9H2,1-2H3/i2D3
InChIKeyIPOUIRPSICRWKR-BMSJAHLVSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53497120
(9-benzyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
CID 67866847
1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone
CID 56934647
[4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate
CID 23276745
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 15287251
(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219335
(7R)-7-acetyloxy-3-(furan-2-carbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid
CID 175009720
methyl 10-cyano-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate
CID 11470807
[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate?
The IUPAC name of [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate (CID 10635212) is [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate.
What is the SMILES notation for [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate?
The canonical SMILES for [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate is [2H]C([2H])([2H])OCc1c2n(c3ccccc13)CCC2OC(C)=O.
What is the InChIKey of [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate?
The InChIKey is IPOUIRPSICRWKR-BMSJAHLVSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(17)19-14-7-8-16-13-6-4-3-5-11(13)12(9-18-2)15(14)16/h3-6,14H,7-9H2,1-2H3/i2D3.
What are the key properties of [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate?
[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate has a molecular weight of 262.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate is sourced from PubChem (CID 10635212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).