ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate

C12H14ClNO2 — CID 56646988

IUPACethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)C1(N)CCc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-5-8-7-9(13)3-4-10(8)12/h3-4,7H,2,5-6,14H2,1H3
InChIKeyPJJYLKHQOSBHIW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.00
Rot. Bonds2

About ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate

ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate (PubChem CID 56646988) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
PubChem CID56646988
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Nameethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)C1(N)CCc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-5-8-7-9(13)3-4-10(8)12/h3-4,7H,2,5-6,14H2,1H3
InChIKeyPJJYLKHQOSBHIW-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
ethyl 6-chloro-1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carboxylate
CID 162204632
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
ethyl 5-chloro-2-(propylamino)-1,3-dihydroindene-2-carboxylate
CID 113291830
ethyl 5-chloro-2-(prop-2-ynylamino)-1,3-dihydroindene-2-carboxylate
CID 113291841
ethyl 5-chloro-2-(prop-2-enoylamino)-1,3-dihydroindene-2-carboxylate
CID 146095225
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350
6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 105483573
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167
6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
CID 161287321

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate (CID 56646988) is ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate is CCOC(=O)C1(N)CCc2cc(Cl)ccc21.
What is the InChIKey of ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate?
The InChIKey is PJJYLKHQOSBHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-5-8-7-9(13)3-4-10(8)12/h3-4,7H,2,5-6,14H2,1H3.
What are the key properties of ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate?
ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 56646988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).