1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile

C10H9NO2 — CID 131587924

IUPAC1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cccc(O)c2O)CC1
InChIInChI=1S/C10H9NO2/c11-6-10(4-5-10)7-2-1-3-8(12)9(7)13/h1-3,12-13H,4-5H2
InChIKeyFGIULRQHGWRZIX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.65
Rot. Bonds1

About 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile

1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 131587924) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile
PubChem CID131587924
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cccc(O)c2O)CC1
InChIInChI=1S/C10H9NO2/c11-6-10(4-5-10)7-2-1-3-8(12)9(7)13/h1-3,12-13H,4-5H2
InChIKeyFGIULRQHGWRZIX-UHFFFAOYSA-N
XLogP1.65
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 131297017
1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84809868
1-(2-hydroxyphenyl)-3-oxocyclobutane-1-carbonitrile
CID 131374802
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
2-chloro-6-(1-cyanocyclopropyl)benzoic acid
CID 129080548
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 66875026
1-(2,3-difluorophenyl)cyclopentane-1-carbonitrile
CID 83412405
1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile
CID 117047551
2-(1-cyanocyclopentyl)benzonitrile
CID 117047164
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 84791665

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile (CID 131587924) is 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile is N#CC1(c2cccc(O)c2O)CC1.
What is the InChIKey of 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is FGIULRQHGWRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-6-10(4-5-10)7-2-1-3-8(12)9(7)13/h1-3,12-13H,4-5H2.
What are the key properties of 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile?
1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 131587924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).