2-(1-hydroxy-3-methylcyclobutyl)propanenitrile

C8H13NO — CID 103565518

IUPAC2-(1-hydroxy-3-methylcyclobutyl)propanenitrile
SMILESCC1CC(O)(C(C)C#N)C1
InChIInChI=1S/C8H13NO/c1-6-3-8(10,4-6)7(2)5-9/h6-7,10H,3-4H2,1-2H3
InChIKeyWCMAUAMLHAQJNC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.31
Rot. Bonds1

About 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile

2-(1-hydroxy-3-methylcyclobutyl)propanenitrile (PubChem CID 103565518) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylcyclobutyl)propanenitrile
PubChem CID103565518
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(1-hydroxy-3-methylcyclobutyl)propanenitrile
SMILESCC1CC(O)(C(C)C#N)C1
InChIInChI=1S/C8H13NO/c1-6-3-8(10,4-6)7(2)5-9/h6-7,10H,3-4H2,1-2H3
InChIKeyWCMAUAMLHAQJNC-UHFFFAOYSA-N
XLogP1.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile?
The IUPAC name of 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile (CID 103565518) is 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile.
What is the SMILES notation for 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile?
The canonical SMILES for 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile is CC1CC(O)(C(C)C#N)C1.
What is the InChIKey of 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile?
The InChIKey is WCMAUAMLHAQJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-8(10,4-6)7(2)5-9/h6-7,10H,3-4H2,1-2H3.
What are the key properties of 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile?
2-(1-hydroxy-3-methylcyclobutyl)propanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylcyclobutyl)propanenitrile is sourced from PubChem (CID 103565518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).