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

C11H11ClO2 — CID 130367546

IUPACmethyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H11ClO2/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)10/h3,5-6,10H,2,4H2,1H3/t10-/m1/s1
InChIKeyVSDJZQKCJPTHLR-SNVBAGLBSA-N
MW210.66 g/mol
LogP2.54
Rot. Bonds1

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

methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 130367546) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID130367546
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Namemethyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)[C@@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H11ClO2/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)10/h3,5-6,10H,2,4H2,1H3/t10-/m1/s1
InChIKeyVSDJZQKCJPTHLR-SNVBAGLBSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate (CID 130367546) is methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)[C@@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is VSDJZQKCJPTHLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)10/h3,5-6,10H,2,4H2,1H3/t10-/m1/s1.
What are the key properties of methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate?
methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 210.66 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-5-chloro-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 130367546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).