trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate

C9H14O3 — CID 67601467

IUPACtrans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=O)CC
InChIInChI=1S/C9H14O3/c1-3-8(10)6-5-7(6)9(11)12-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRWZLWGYDDFAYAA-RNFRBKRXSA-N
MW170.21 g/mol
LogP1.16
Rot. Bonds4

About trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate (PubChem CID 67601467) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
PubChem CID67601467
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nametrans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=O)CC
InChIInChI=1S/C9H14O3/c1-3-8(10)6-5-7(6)9(11)12-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRWZLWGYDDFAYAA-RNFRBKRXSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1S,2S)-2-(4-methylpentanoyl)cyclopropane-1-carboxylate
CID 10774911
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
2-O-ethyl 1-O-methylsulfonyl cyclopropane-1,2-dicarboxylate
CID 58429045
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
cis-ethyl (1S,2R)-2-(C-ethoxycarbonimidoyl)cyclopropane-1-carboxylate
CID 138040639
trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate
CID 91198295

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate (CID 67601467) is trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1C(=O)CC.
What is the InChIKey of trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate?
The InChIKey is RWZLWGYDDFAYAA-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-8(10)6-5-7(6)9(11)12-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate is sourced from PubChem (CID 67601467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).