ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate

C11H12ClNO2 — CID 142661958

IUPACethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)[C@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C11H12ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-5,10,13H,2,6H2,1H3/t10-/m1/s1
InChIKeyOWSUVASONMJJFJ-SNVBAGLBSA-N
MW225.67 g/mol
LogP2.24
Rot. Bonds2

About ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate

ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 142661958) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID142661958
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Nameethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)[C@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C11H12ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-5,10,13H,2,6H2,1H3/t10-/m1/s1
InChIKeyOWSUVASONMJJFJ-SNVBAGLBSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 66821777
CID 159251036
CID 159251036
ethyl 2,3-dihydro-1H-indole-2-carboxylate;tetrachlorostannane;hydrochloride
CID 70480202
ethyl (2S)-4,5-difluoro-2,3-dihydro-1H-indole-2-carboxylate
CID 125113152
ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate
CID 151120168
ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
CID 131512991
ethyl (2S)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 95990402
ethyl 6-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate
CID 82363876
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
ethyl (2S)-6-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-indole-2-carboxylate
CID 118953294
ethyl 7-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 18788380

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate (CID 142661958) is ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate is CCOC(=O)[C@H]1Cc2cc(Cl)ccc2N1.
What is the InChIKey of ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is OWSUVASONMJJFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-5,10,13H,2,6H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 225.67 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 142661958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).