cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate

C16H16O2 — CID 15758689

IUPACcis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C16H16O2/c1-2-18-16(17)15-10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,2,10H2,1H3/t14-,15-/m0/s1
InChIKeyOASMPQRUPGSFOB-GJZGRUSLSA-N
MW240.30 g/mol
LogP3.51
Rot. Bonds3

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

cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate (PubChem CID 15758689) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
PubChem CID15758689
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namecis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C16H16O2/c1-2-18-16(17)15-10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,2,10H2,1H3/t14-,15-/m0/s1
InChIKeyOASMPQRUPGSFOB-GJZGRUSLSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
ethyl 2-[3-chloro-4-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
CID 167287354
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
CID 164906873
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
CID 101266257
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate (CID 15758689) is cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate?
The InChIKey is OASMPQRUPGSFOB-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-18-16(17)15-10-14(15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-15H,2,10H2,1H3/t14-,15-/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate?
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 15758689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).