1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile

C8H13NO — CID 134896078

IUPAC1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile
SMILESCC1(C)C(C)(C)C1(O)C#N
InChIInChI=1S/C8H13NO/c1-6(2)7(3,4)8(6,10)5-9/h10H,1-4H3
InChIKeyXDSRJQMZMIFGNJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.31
Rot. Bonds

About 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile

1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile (PubChem CID 134896078) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile
PubChem CID134896078
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile
SMILESCC1(C)C(C)(C)C1(O)C#N
InChIInChI=1S/C8H13NO/c1-6(2)7(3,4)8(6,10)5-9/h10H,1-4H3
InChIKeyXDSRJQMZMIFGNJ-UHFFFAOYSA-N
XLogP1.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile (CID 134896078) is 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile is CC1(C)C(C)(C)C1(O)C#N.
What is the InChIKey of 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
The InChIKey is XDSRJQMZMIFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)7(3,4)8(6,10)5-9/h10H,1-4H3.
What are the key properties of 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,3,3-tetramethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 134896078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).