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

C16H20O2 — CID 59032248

IUPAC[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate
SMILESC[C@@H]1c2ccccc2C[C@@H]1OC(=O)CCC1CC1
InChIInChI=1S/C16H20O2/c1-11-14-5-3-2-4-13(14)10-15(11)18-16(17)9-8-12-6-7-12/h2-5,11-12,15H,6-10H2,1H3/t11-,15+/m1/s1
InChIKeyVDCGRTOTDSLQQN-ABAIWWIYSA-N
MW244.33 g/mol
LogP3.45
Rot. Bonds4

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

[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate (PubChem CID 59032248) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate.

Molecular Properties

Compound Name[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate
PubChem CID59032248
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate
SMILESC[C@@H]1c2ccccc2C[C@@H]1OC(=O)CCC1CC1
InChIInChI=1S/C16H20O2/c1-11-14-5-3-2-4-13(14)10-15(11)18-16(17)9-8-12-6-7-12/h2-5,11-12,15H,6-10H2,1H3/t11-,15+/m1/s1
InChIKeyVDCGRTOTDSLQQN-ABAIWWIYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate?
The IUPAC name of [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate (CID 59032248) is [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate.
What is the SMILES notation for [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate?
The canonical SMILES for [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate is C[C@@H]1c2ccccc2C[C@@H]1OC(=O)CCC1CC1.
What is the InChIKey of [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate?
The InChIKey is VDCGRTOTDSLQQN-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-14-5-3-2-4-13(14)10-15(11)18-16(17)9-8-12-6-7-12/h2-5,11-12,15H,6-10H2,1H3/t11-,15+/m1/s1.
What are the key properties of [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate?
[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate is sourced from PubChem (CID 59032248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).