ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate

C12H15NO2 — CID 66825919

IUPACethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(N)CC2
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)9-4-3-8-5-6-11(13)10(8)7-9/h3-4,7,11H,2,5-6,13H2,1H3
InChIKeyWOWCGMIFWRSTHB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds2

About ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate

ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66825919) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66825919
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(N)CC2
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)9-4-3-8-5-6-11(13)10(8)7-9/h3-4,7,11H,2,5-6,13H2,1H3
InChIKeyWOWCGMIFWRSTHB-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66825773
1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
CID 90845496
ethyl (4R)-4-amino-3,4-dihydro-1H-isochromene-6-carboxylate
CID 131453559
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
CID 43321711
benzyl (3S)-3-phenylmethoxy-2,3-dihydro-1H-indene-5-carboxylate
CID 90254651

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate (CID 66825919) is ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate is CCOC(=O)c1ccc2c(c1)C(N)CC2.
What is the InChIKey of ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is WOWCGMIFWRSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-12(14)9-4-3-8-5-6-11(13)10(8)7-9/h3-4,7,11H,2,5-6,13H2,1H3.
What are the key properties of ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate?
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66825919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).