2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile

C11H16N2O — CID 7059107

IUPAC2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
SMILESC[C@]12CC[C@H](CC1=NO)[C@@]2(C)CC#N
InChIInChI=1S/C11H16N2O/c1-10(5-6-12)8-3-4-11(10,2)9(7-8)13-14/h8,14H,3-5,7H2,1-2H3/t8-,10-,11+/m1/s1
InChIKeyFGPNWCOUEXKKAK-IEBDPFPHSA-N
MW192.26 g/mol
LogP2.56
Rot. Bonds1

About 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile

2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile (PubChem CID 7059107) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile.

Molecular Properties

Compound Name2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
PubChem CID7059107
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
SMILESC[C@]12CC[C@H](CC1=NO)[C@@]2(C)CC#N
InChIInChI=1S/C11H16N2O/c1-10(5-6-12)8-3-4-11(10,2)9(7-8)13-14/h8,14H,3-5,7H2,1-2H3/t8-,10-,11+/m1/s1
InChIKeyFGPNWCOUEXKKAK-IEBDPFPHSA-N
XLogP2.56
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(1R,4R,7R)-7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 7744961
2-[(1S,4S,7R)-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]acetonitrile
CID 6993220
3-[(1S,2Z,4S,7S)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]propanoic acid
CID 124853169
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
CID 158964825
(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
[[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-bromobenzoate
CID 4713969
[(E)-[(1R,4S,7S)-7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methylbenzoate
CID 98144332
[(Z)-[(1R,4S,7S)-7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methylbenzoate
CID 98142933
(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23309790
[[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methoxybenzoate
CID 4714074

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?
The IUPAC name of 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile (CID 7059107) is 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile.
What is the SMILES notation for 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?
The canonical SMILES for 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile is C[C@]12CC[C@H](CC1=NO)[C@@]2(C)CC#N.
What is the InChIKey of 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?
The InChIKey is FGPNWCOUEXKKAK-IEBDPFPHSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(5-6-12)8-3-4-11(10,2)9(7-8)13-14/h8,14H,3-5,7H2,1-2H3/t8-,10-,11+/m1/s1.
What are the key properties of 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile?
2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile has a molecular weight of 192.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R,7R)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile is sourced from PubChem (CID 7059107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).