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

C10H10ClNO2 — CID 21344957

IUPACmethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)[C@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-4,9,12H,5H2,1H3/t9-/m1/s1
InChIKeyKMAJCOHYHSXZFU-SECBINFHSA-N
MW211.65 g/mol
LogP1.85
Rot. Bonds1

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

methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 21344957) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID21344957
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)[C@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-4,9,12H,5H2,1H3/t9-/m1/s1
InChIKeyKMAJCOHYHSXZFU-SECBINFHSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate (CID 21344957) is methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate is COC(=O)[C@H]1Cc2cc(Cl)ccc2N1.
What is the InChIKey of methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is KMAJCOHYHSXZFU-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-4,9,12H,5H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate?
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 211.65 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 21344957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).