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

C12H14O2 — CID 11961495

IUPAC[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](C)c2ccccc21
InChIInChI=1S/C12H14O2/c1-8-7-12(14-9(2)13)11-6-4-3-5-10(8)11/h3-6,8,12H,7H2,1-2H3/t8-,12-/m0/s1
InChIKeySEWRWZMHXIIQBA-UFBFGSQYSA-N
MW190.24 g/mol
LogP2.80
Rot. Bonds1

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

[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate (PubChem CID 11961495) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate.

Molecular Properties

Compound Name[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
PubChem CID11961495
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](C)c2ccccc21
InChIInChI=1S/C12H14O2/c1-8-7-12(14-9(2)13)11-6-4-3-5-10(8)11/h3-6,8,12H,7H2,1-2H3/t8-,12-/m0/s1
InChIKeySEWRWZMHXIIQBA-UFBFGSQYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
[(1S,3R)-3-[bis(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-1-yl] acetate
CID 71583746
[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 67461460
[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate
CID 58813153
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
methyl 1-acetamido-2,4-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 70996320

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate?
The IUPAC name of [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate (CID 11961495) is [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate.
What is the SMILES notation for [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate?
The canonical SMILES for [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate is CC(=O)O[C@H]1C[C@H](C)c2ccccc21.
What is the InChIKey of [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate?
The InChIKey is SEWRWZMHXIIQBA-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-7-12(14-9(2)13)11-6-4-3-5-10(8)11/h3-6,8,12H,7H2,1-2H3/t8-,12-/m0/s1.
What are the key properties of [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate?
[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate has a molecular weight of 190.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate is sourced from PubChem (CID 11961495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).