(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile

C6H7NO2 — CID 15596200

IUPAC(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile
SMILESN#C[C@]1(O)C=C[C@H](O)C1
InChIInChI=1S/C6H7NO2/c7-4-6(9)2-1-5(8)3-6/h1-2,5,8-9H,3H2/t5-,6-/m0/s1
InChIKeyRZJKZOMFHISLIW-WDSKDSINSA-N
MW125.13 g/mol
LogP-0.44
Rot. Bonds

About (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile

(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile (PubChem CID 15596200) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile
PubChem CID15596200
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile
SMILESN#C[C@]1(O)C=C[C@H](O)C1
InChIInChI=1S/C6H7NO2/c7-4-6(9)2-1-5(8)3-6/h1-2,5,8-9H,3H2/t5-,6-/m0/s1
InChIKeyRZJKZOMFHISLIW-WDSKDSINSA-N
XLogP-0.44
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile?
The IUPAC name of (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile (CID 15596200) is (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile?
The canonical SMILES for (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile is N#C[C@]1(O)C=C[C@H](O)C1.
What is the InChIKey of (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile?
The InChIKey is RZJKZOMFHISLIW-WDSKDSINSA-N. The full InChI is InChI=1S/C6H7NO2/c7-4-6(9)2-1-5(8)3-6/h1-2,5,8-9H,3H2/t5-,6-/m0/s1.
What are the key properties of (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile?
(1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile has a molecular weight of 125.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,4-dihydroxycyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 15596200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).