(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile

C8H11NO — CID 131065411

IUPAC(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile
SMILESN#C[C@@H]1[C@H]2CC[C@@H]1[C@H](O)C2
InChIInChI=1S/C8H11NO/c9-4-7-5-1-2-6(7)8(10)3-5/h5-8,10H,1-3H2/t5-,6-,7+,8+/m0/s1
InChIKeyKONKTWUPTWVEMA-RULNZFCNSA-N
MW137.18 g/mol
LogP0.92
Rot. Bonds

About (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile

(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile (PubChem CID 131065411) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile.

Molecular Properties

Compound Name(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile
PubChem CID131065411
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile
SMILESN#C[C@@H]1[C@H]2CC[C@@H]1[C@H](O)C2
InChIInChI=1S/C8H11NO/c9-4-7-5-1-2-6(7)8(10)3-5/h5-8,10H,1-3H2/t5-,6-,7+,8+/m0/s1
InChIKeyKONKTWUPTWVEMA-RULNZFCNSA-N
XLogP0.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carbonitrile
CID 101164414
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
CID 130827035
7-fluorobicyclo[2.2.1]heptan-2-ol
CID 130149072
(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455079
(1R,4S,5S,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455078
2-bromobicyclo[3.2.0]heptan-3-ol
CID 13087128
3-benzoylbicyclo[2.2.1]heptane-2-carbonitrile
CID 3577585
(7-cyano-2-bicyclo[2.2.1]heptanyl) 4-methylbenzenesulfonate
CID 562850
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol
CID 131019242
(1S,2S,4S,7R)-7-(5-hydroxypent-2-ynyl)bicyclo[2.2.1]heptan-2-ol
CID 101006127

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile?
The IUPAC name of (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile (CID 131065411) is (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile.
What is the SMILES notation for (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile?
The canonical SMILES for (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile is N#C[C@@H]1[C@H]2CC[C@@H]1[C@H](O)C2.
What is the InChIKey of (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile?
The InChIKey is KONKTWUPTWVEMA-RULNZFCNSA-N. The full InChI is InChI=1S/C8H11NO/c9-4-7-5-1-2-6(7)8(10)3-5/h5-8,10H,1-3H2/t5-,6-,7+,8+/m0/s1.
What are the key properties of (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile?
(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile is sourced from PubChem (CID 131065411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).