ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate

C16H17NO2 — CID 10634763

IUPACethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2cccc3cccc(c23)C1
InChIInChI=1S/C16H17NO2/c1-2-19-15(18)16(17)9-12-7-3-5-11-6-4-8-13(10-16)14(11)12/h3-8H,2,9-10,17H2,1H3
InChIKeyDXHHTLACLQUVTL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.20
Rot. Bonds2

About ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate

ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate (PubChem CID 10634763) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
PubChem CID10634763
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2cccc3cccc(c23)C1
InChIInChI=1S/C16H17NO2/c1-2-19-15(18)16(17)9-12-7-3-5-11-6-4-8-13(10-16)14(11)12/h3-8H,2,9-10,17H2,1H3
InChIKeyDXHHTLACLQUVTL-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 13-aminopentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13-carboxylate
CID 102066296
ethyl 2-amino-5,6-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 24977741
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
diethyl 6-bromo-1,3-dihydrophenalene-2,2-dicarboxylate
CID 70405514
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
ethyl 2-amino-4-fluoro-7-methyl-1,3-dihydroindene-2-carboxylate
CID 91348519
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
ethyl (2S)-2-amino-4-bromo-7-methoxy-1,3-dihydroindene-2-carboxylate
CID 100991299
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate?
The IUPAC name of ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate (CID 10634763) is ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate is CCOC(=O)C1(N)Cc2cccc3cccc(c23)C1.
What is the InChIKey of ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate?
The InChIKey is DXHHTLACLQUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-19-15(18)16(17)9-12-7-3-5-11-6-4-8-13(10-16)14(11)12/h3-8H,2,9-10,17H2,1H3.
What are the key properties of ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate?
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate is sourced from PubChem (CID 10634763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).