cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid

C5H5NO2 — CID 68820990

IUPACcis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid
SMILESN#C[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4+/m0/s1
InChIKeyMFCBCXRMDAOFOT-IUYQGCFVSA-N
MW111.10 g/mol
LogP0.23
Rot. Bonds1

About cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid

cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid (PubChem CID 68820990) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid
PubChem CID68820990
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Namecis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid
SMILESN#C[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4+/m0/s1
InChIKeyMFCBCXRMDAOFOT-IUYQGCFVSA-N
XLogP0.23
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid (CID 68820990) is cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid is N#C[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid?
The InChIKey is MFCBCXRMDAOFOT-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4+/m0/s1.
What are the key properties of cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid has a molecular weight of 111.10 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-cyanocyclopropane-1-carboxylic acid is sourced from PubChem (CID 68820990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).