ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate

C12H15NO2 — CID 131277883

IUPACethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2cccc(N)c2C1
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)9-6-8-4-3-5-11(13)10(8)7-9/h3-5,9H,2,6-7,13H2,1H3
InChIKeyHPYNTMCYEATIKB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.55
Rot. Bonds2

About ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate

ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 131277883) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID131277883
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C1Cc2cccc(N)c2C1
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)9-6-8-4-3-5-11(13)10(8)7-9/h3-5,9H,2,6-7,13H2,1H3
InChIKeyHPYNTMCYEATIKB-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-ethoxycarbonylsulfanyl-2,3-dihydro-1H-indene-2-carboxylate
CID 71635519
methyl (2R)-4-ethoxycarbonylsulfanyl-2,3-dihydro-1H-indene-2-carboxylate
CID 97177708
ethyl 5-amino-6-iodo-2,3-dihydro-1H-indene-2-carboxylate
CID 156536085
ethyl 8-methyl-3,4-dihydro-2H-chromene-3-carboxylate
CID 170903881
ethyl 2-oxo-4,5-dihydro-3H-1-benzoxepine-4-carboxylate
CID 69129023
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
ethyl (3S)-8-bromo-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 67755456
ethyl (10E)-8-oxo-5,6,7,9-tetrahydrobenzo[9]annulene-6-carboxylate
CID 139499927
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
ethyl 6-amino-5-[(E)-2-cyclopropylprop-1-enyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 156548740
ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
CID 10488912

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate (CID 131277883) is ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)C1Cc2cccc(N)c2C1.
What is the InChIKey of ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is HPYNTMCYEATIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-12(14)9-6-8-4-3-5-11(13)10(8)7-9/h3-5,9H,2,6-7,13H2,1H3.
What are the key properties of ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 131277883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).