cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate

C16H16O2 — CID 11184053

IUPACcis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-16(15(17)18-2)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3/t14-,16-/m0/s1
InChIKeyFPPSAAWKPFTHMR-HOCLYGCPSA-N
MW240.30 g/mol
LogP3.51
Rot. Bonds2

About cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate

cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate (PubChem CID 11184053) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
PubChem CID11184053
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namecis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-16(15(17)18-2)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3/t14-,16-/m0/s1
InChIKeyFPPSAAWKPFTHMR-HOCLYGCPSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
dimethyl 2-amino-3-cyano-4-naphthalen-1-ylcyclopent-2-ene-1,1-dicarboxylate
CID 102498568
cis-dimethyl (2R,3S)-2-naphthalen-1-yl-3-nitrocyclopropane-1,1-dicarboxylate
CID 101418219
methyl (2S,4R)-2-hydroxy-4-phenyl-3,4-dihydrobenzo[h]chromene-2-carboxylate
CID 56931553
5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
CID 66107850
cis-ethyl (1R,2R)-2-naphthalen-1-yl-1-[(E)-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 122368356
cis-dimethyl (2S,3R)-2-(benzenesulfonyl)-2-cyano-3-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 122201867
1-[(1S)-2-naphthalen-1-yl-1-nitrocyclopropyl]ethanone
CID 102350204
trimethyl (2S,3R,4S,5R)-5-naphthalen-1-ylpyrrolidine-2,3,4-tricarboxylate
CID 101216745
methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate
CID 88767200
naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate
CID 2827256

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate (CID 11184053) is cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate is COC(=O)[C@@]1(C)C[C@H]1c1cccc2ccccc12.
What is the InChIKey of cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate?
The InChIKey is FPPSAAWKPFTHMR-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(15(17)18-2)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate?
cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 11184053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).