2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

C10H15NO — CID 65392742

IUPAC2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCCCC1(C#N)CC2CCC1O2
InChIInChI=1S/C10H15NO/c1-2-5-10(7-11)6-8-3-4-9(10)12-8/h8-9H,2-6H2,1H3
InChIKeyPASGTLTZGXKXOI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.25
Rot. Bonds2

About 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 65392742) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID65392742
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCCCC1(C#N)CC2CCC1O2
InChIInChI=1S/C10H15NO/c1-2-5-10(7-11)6-8-3-4-9(10)12-8/h8-9H,2-6H2,1H3
InChIKeyPASGTLTZGXKXOI-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (CID 65392742) is 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is CCCC1(C#N)CC2CCC1O2.
What is the InChIKey of 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is PASGTLTZGXKXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-5-10(7-11)6-8-3-4-9(10)12-8/h8-9H,2-6H2,1H3.
What are the key properties of 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 65392742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).