(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile

C7H9NO — CID 130905997

IUPAC(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#C[C@@]12C[C@H](O)C[C@@H]1C2
InChIInChI=1S/C7H9NO/c8-4-7-2-5(7)1-6(9)3-7/h5-6,9H,1-3H2/t5-,6-,7-/m1/s1
InChIKeyMZRYUYWWRURRCD-FSDSQADBSA-N
MW123.16 g/mol
LogP0.67
Rot. Bonds

About (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile

(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile (PubChem CID 130905997) has the molecular formula C7H9NO and a molecular weight of 123.16 g/mol. Its IUPAC name is (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile.

Molecular Properties

Compound Name(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
PubChem CID130905997
Molecular FormulaC7H9NO
Molecular Weight123.16 g/mol
Exact Mass123.07
IUPAC Name(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
SMILESN#C[C@@]12C[C@H](O)C[C@@H]1C2
InChIInChI=1S/C7H9NO/c8-4-7-2-5(7)1-6(9)3-7/h5-6,9H,1-3H2/t5-,6-,7-/m1/s1
InChIKeyMZRYUYWWRURRCD-FSDSQADBSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile?
The IUPAC name of (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile (CID 130905997) is (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile.
What is the SMILES notation for (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile?
The canonical SMILES for (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile is N#C[C@@]12C[C@H](O)C[C@@H]1C2.
What is the InChIKey of (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile?
The InChIKey is MZRYUYWWRURRCD-FSDSQADBSA-N. The full InChI is InChI=1S/C7H9NO/c8-4-7-2-5(7)1-6(9)3-7/h5-6,9H,1-3H2/t5-,6-,7-/m1/s1.
What are the key properties of (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile?
(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile has a molecular weight of 123.16 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile is sourced from PubChem (CID 130905997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).