trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid

C8H8O3 — CID 28901701

IUPACtrans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C8H8O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h1-3,5-6H,4H2,(H,9,10)/t5-,6-/m1/s1
InChIKeyXYZJHPPIFVPLFP-PHDIDXHHSA-N
MW152.15 g/mol
LogP1.47
Rot. Bonds2

About trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 28901701) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid
PubChem CID28901701
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Nametrans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C8H8O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h1-3,5-6H,4H2,(H,9,10)/t5-,6-/m1/s1
InChIKeyXYZJHPPIFVPLFP-PHDIDXHHSA-N
XLogP1.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid (CID 28901701) is trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is XYZJHPPIFVPLFP-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H8O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h1-3,5-6H,4H2,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 28901701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).