2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile

C10H15NO — CID 24873688

IUPAC2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile
SMILESC=C[C@@]1(O)[C@H](CC#N)CC1(C)C
InChIInChI=1S/C10H15NO/c1-4-10(12)8(5-6-11)7-9(10,2)3/h4,8,12H,1,5,7H2,2-3H3/t8-,10-/m1/s1
InChIKeyHCSJULWSWURSKM-PSASIEDQSA-N
MW165.24 g/mol
LogP1.86
Rot. Bonds2

About 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile

2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile (PubChem CID 24873688) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile
PubChem CID24873688
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile
SMILESC=C[C@@]1(O)[C@H](CC#N)CC1(C)C
InChIInChI=1S/C10H15NO/c1-4-10(12)8(5-6-11)7-9(10,2)3/h4,8,12H,1,5,7H2,2-3H3/t8-,10-/m1/s1
InChIKeyHCSJULWSWURSKM-PSASIEDQSA-N
XLogP1.86
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile?
The IUPAC name of 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile (CID 24873688) is 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile.
What is the SMILES notation for 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile?
The canonical SMILES for 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile is C=C[C@@]1(O)[C@H](CC#N)CC1(C)C.
What is the InChIKey of 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile?
The InChIKey is HCSJULWSWURSKM-PSASIEDQSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-10(12)8(5-6-11)7-9(10,2)3/h4,8,12H,1,5,7H2,2-3H3/t8-,10-/m1/s1.
What are the key properties of 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile?
2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile is sourced from PubChem (CID 24873688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).