cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate

C9H16O2 — CID 45090224

IUPACcis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
SMILESCCC[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C9H16O2/c1-3-5-7-6-8(7)9(10)11-4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyQEGGHEPATWHWJA-HTQZYQBOSA-N
MW156.22 g/mol
LogP1.99
Rot. Bonds4

About cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate

cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate (PubChem CID 45090224) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
PubChem CID45090224
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
SMILESCCC[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C9H16O2/c1-3-5-7-6-8(7)9(10)11-4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyQEGGHEPATWHWJA-HTQZYQBOSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(8-chlorooctyl)cyclopropane-1-carboxylate
CID 139889614
ethyl 2-aminocyclopropane-1-carboxylate
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CID 57095228
cis-ethyl (1R,2R)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 13039526
ethyl (4R)-4-propylpiperidine-3-carboxylate
CID 121479190
cis-ethyl (1R,2R)-2-(trifluoromethoxymethyl)cyclopropane-1-carboxylate
CID 142540009
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
CID 163278309
trans-ethyl (1R,2R)-2-[(2S)-2-acetamido-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57187213
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
ethyl (1S,2R,4S)-2-ethyl-4-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 86678539

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate (CID 45090224) is cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate is CCC[C@@H]1C[C@H]1C(=O)OCC.
What is the InChIKey of cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate?
The InChIKey is QEGGHEPATWHWJA-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-7-6-8(7)9(10)11-4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate has a molecular weight of 156.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate is sourced from PubChem (CID 45090224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).