ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate

C18H16O5 — CID 102387076

IUPACethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@H]1C(=O)c1ccco1
InChIInChI=1S/C18H16O5/c1-2-22-18(21)15-13(16(19)11-7-4-3-5-8-11)14(15)17(20)12-9-6-10-23-12/h3-10,13-15H,2H2,1H3/t13-,14-,15+/m1/s1
InChIKeyDRIRGNQEDSFCSC-KFWWJZLASA-N
MW312.32 g/mol
LogP2.77
Rot. Bonds6

About ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate

ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate (PubChem CID 102387076) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate
PubChem CID102387076
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Nameethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@H]1C(=O)c1ccco1
InChIInChI=1S/C18H16O5/c1-2-22-18(21)15-13(16(19)11-7-4-3-5-8-11)14(15)17(20)12-9-6-10-23-12/h3-10,13-15H,2H2,1H3/t13-,14-,15+/m1/s1
InChIKeyDRIRGNQEDSFCSC-KFWWJZLASA-N
XLogP2.77
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl 2-benzyl-3-(furan-2-yl)-3-oxopropanoate
CID 3804703
ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
CID 3738299
tetraethyl 9-benzyl-1,2,3,4,5,6,7,8-octahydrocarbazole-2,3,6,7-tetracarboxylate
CID 101030468
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
trans-1-O-(furan-2-ylmethyl) 3-O-methyl (2S,4S)-2,4-diphenylcyclobutane-1,3-dicarboxylate
CID 1150733
diethyl (1S,2S)-3-(furan-2-carbonyl)cyclopent-3-ene-1,2-dicarboxylate
CID 101461846
ethyl 3-benzyloxirane-2-carboxylate
CID 526766
trans-ethyl (2R,4R)-3-(1-ethoxyethenyl)-2,4-bis(furan-2-yl)cyclobutane-1-carboxylate
CID 137384255

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate (CID 102387076) is ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@H]1C(=O)c1ccco1.
What is the InChIKey of ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is DRIRGNQEDSFCSC-KFWWJZLASA-N. The full InChI is InChI=1S/C18H16O5/c1-2-22-18(21)15-13(16(19)11-7-4-3-5-8-11)14(15)17(20)12-9-6-10-23-12/h3-10,13-15H,2H2,1H3/t13-,14-,15+/m1/s1.
What are the key properties of ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate?
ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102387076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).