2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

C10H15NO — CID 130513924

IUPAC2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC(C)C1(C#N)CC2CCC1O2
InChIInChI=1S/C10H15NO/c1-7(2)10(6-11)5-8-3-4-9(10)12-8/h7-9H,3-5H2,1-2H3
InChIKeyMZMULRZUKYUZBI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.10
Rot. Bonds1

About 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 130513924) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID130513924
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC(C)C1(C#N)CC2CCC1O2
InChIInChI=1S/C10H15NO/c1-7(2)10(6-11)5-8-3-4-9(10)12-8/h7-9H,3-5H2,1-2H3
InChIKeyMZMULRZUKYUZBI-UHFFFAOYSA-N
XLogP2.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (CID 130513924) is 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is CC(C)C1(C#N)CC2CCC1O2.
What is the InChIKey of 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is MZMULRZUKYUZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)10(6-11)5-8-3-4-9(10)12-8/h7-9H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 130513924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).