methyl 2,3-dihydro-1H-indene-5-carboxylate

C11H12O2 — CID 10464836

IUPACmethyl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H12O2/c1-13-11(12)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3
InChIKeyQMBOGHRCVUZBIR-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.96
Rot. Bonds1

About methyl 2,3-dihydro-1H-indene-5-carboxylate

methyl 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 10464836) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID10464836
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Namemethyl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H12O2/c1-13-11(12)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3
InChIKeyQMBOGHRCVUZBIR-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 2,3-dihydro-1H-indene-5-carboxylate (CID 10464836) is methyl 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of methyl 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is QMBOGHRCVUZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-11(12)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3.
What are the key properties of methyl 2,3-dihydro-1H-indene-5-carboxylate?
methyl 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 176.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 10464836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).