2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate

C11H11O2- — CID 21310563

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
SMILESO=C([O-])C[C@H]1CCc2ccccc21
InChIInChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)/p-1/t9-/m1/s1
InChIKeyRJVZEPWRJJBXLH-SECBINFHSA-M
MW175.21 g/mol
LogP0.86
Rot. Bonds2

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate

2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate (PubChem CID 21310563) has the molecular formula C11H11O2- and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
PubChem CID21310563
Molecular FormulaC11H11O2-
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
SMILESO=C([O-])C[C@H]1CCc2ccccc21
InChIInChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)/p-1/t9-/m1/s1
InChIKeyRJVZEPWRJJBXLH-SECBINFHSA-M
XLogP0.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
CID 15744568
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
CID 129405873
1-ethyl-2,3-dihydro-1H-indene
CID 20971
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
CID 86955748
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-phenylcyclobutyl)acetamide
CID 86955408
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate (CID 21310563) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate is O=C([O-])C[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate?
The InChIKey is RJVZEPWRJJBXLH-SECBINFHSA-M. The full InChI is InChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)/p-1/t9-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate has a molecular weight of 175.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate is sourced from PubChem (CID 21310563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).