3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile

C8H13NO — CID 79132546

IUPAC3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)C(O)C1CC1
InChIInChI=1S/C8H13NO/c1-8(2,5-9)7(10)6-3-4-6/h6-7,10H,3-4H2,1-2H3
InChIKeyDEYLYKSKAXIFLB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.31
Rot. Bonds2

About 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile

3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile (PubChem CID 79132546) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile
PubChem CID79132546
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)C(O)C1CC1
InChIInChI=1S/C8H13NO/c1-8(2,5-9)7(10)6-3-4-6/h6-7,10H,3-4H2,1-2H3
InChIKeyDEYLYKSKAXIFLB-UHFFFAOYSA-N
XLogP1.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile?
The IUPAC name of 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile (CID 79132546) is 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile is CC(C)(C#N)C(O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile?
The InChIKey is DEYLYKSKAXIFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2,5-9)7(10)6-3-4-6/h6-7,10H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile?
3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile is sourced from PubChem (CID 79132546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).