[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

C13H17NO3 — CID 68829372

IUPAC[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc2c(c1)[C@H](O)CC2
InChIInChI=1S/C13H17NO3/c1-3-14(2)13(16)17-10-6-4-9-5-7-12(15)11(9)8-10/h4,6,8,12,15H,3,5,7H2,1-2H3/t12-/m1/s1
InChIKeyNOPXLIWXAIHZBJ-GFCCVEGCSA-N
MW235.28 g/mol
LogP2.12
Rot. Bonds2

About [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate

[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (PubChem CID 68829372) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
PubChem CID68829372
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc2c(c1)[C@H](O)CC2
InChIInChI=1S/C13H17NO3/c1-3-14(2)13(16)17-10-6-4-9-5-7-12(15)11(9)8-10/h4,6,8,12,15H,3,5,7H2,1-2H3/t12-/m1/s1
InChIKeyNOPXLIWXAIHZBJ-GFCCVEGCSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]-methylazanium chloride
CID 11011533
[3-[(prop-2-ynylamino)methyl]-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 143554102
2,3-dihydroxybutanedioic acid;[(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 11625965
2,3-dihydroxybutanedioic acid;[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
CID 73033832
tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 11810576
[6-[hexyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]azanium chloride
CID 11045651
[(3S,4S)-4-amino-3-methyl-3,4-dihydro-1H-isochromen-6-yl] N-ethyl-N-methylcarbamate
CID 134221260
[(3E)-3-hydroxyimino-1,2-dihydroinden-5-yl] N-ethyl-N-methylcarbamate
CID 58988449
[(3S)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-butyl-N-methylcarbamate
CID 10980623
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-butyl-N-methylcarbamate;hydrochloride
CID 45265585
[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
CID 143532702
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
CID 15908437

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate (CID 68829372) is [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccc2c(c1)[C@H](O)CC2.
What is the InChIKey of [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
The InChIKey is NOPXLIWXAIHZBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14(2)13(16)17-10-6-4-9-5-7-12(15)11(9)8-10/h4,6,8,12,15H,3,5,7H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate?
[(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 68829372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).