(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile

C7H9NO — CID 101164414

IUPAC(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#C[C@@H]1[C@@H]2CC[C@@H](O)[C@H]12
InChIInChI=1S/C7H9NO/c8-3-5-4-1-2-6(9)7(4)5/h4-7,9H,1-2H2/t4-,5+,6+,7-/m0/s1
InChIKeyHLRKECNQLCCARA-WNJXEPBRSA-N
MW123.16 g/mol
LogP0.53
Rot. Bonds

About (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile

(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 101164414) has the molecular formula C7H9NO and a molecular weight of 123.16 g/mol. Its IUPAC name is (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID101164414
Molecular FormulaC7H9NO
Molecular Weight123.16 g/mol
Exact Mass123.07
IUPAC Name(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#C[C@@H]1[C@@H]2CC[C@@H](O)[C@H]12
InChIInChI=1S/C7H9NO/c8-3-5-4-1-2-6(9)7(4)5/h4-7,9H,1-2H2/t4-,5+,6+,7-/m0/s1
InChIKeyHLRKECNQLCCARA-WNJXEPBRSA-N
XLogP0.53
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile
CID 131065411
(1R,2S,4R,5S,6R,8S)-3-oxatetracyclo[3.3.2.02,4.06,8]decane-7-carbonitrile
CID 44608024
(1R,6R)-6-aminobicyclo[3.1.0]hexan-2-ol
CID 83814962
(1S,2R,3R,6R,7R)-tricyclo[5.3.0.02,6]decan-3-ol
CID 39353118
5-hydroxy-2-methyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile
CID 134342939
(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile
CID 129322020
(1S,5S,6S)-6-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
CID 131201890
(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
CID 98561743
(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile
CID 11859739
(1S,2R,3S,6R,7R,8R,9R,10S,11S,14S,15S,16R,17R,18R)-8,18-diiodohexacyclo[13.2.1.02,6.07,17.09,16.010,14]octadecane-3,11-diol
CID 98556858
(1R,2S,3S,6S,7S,8R,9S,10S,11S,14R,15R,16R,17R,18R)-8,18-diiodohexacyclo[13.2.1.02,6.07,17.09,16.010,14]octadecane-3,11-diol
CID 98556860
cyclohexane-1,2,3,4-tetracarbonitrile
CID 87163155

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile (CID 101164414) is (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile is N#C[C@@H]1[C@@H]2CC[C@@H](O)[C@H]12.
What is the InChIKey of (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is HLRKECNQLCCARA-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H9NO/c8-3-5-4-1-2-6(9)7(4)5/h4-7,9H,1-2H2/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile?
(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 123.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 101164414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).