propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate

C13H16O2 — CID 60704491

IUPACpropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16O2/c1-9(2)15-13(14)12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3
InChIKeyMKNUFVXPYOQMNG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.74
Rot. Bonds2

About propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate

propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 60704491) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID60704491
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namepropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16O2/c1-9(2)15-13(14)12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3
InChIKeyMKNUFVXPYOQMNG-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 71915736
propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
CID 133062529
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010397
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392603
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 139896320
[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010390
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7785718
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 43030638
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46617596
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate (CID 60704491) is propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate is CC(C)OC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is MKNUFVXPYOQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)15-13(14)12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 60704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).