3-(5,5-dimethyloxolan-2-yl)propanenitrile

C9H15NO — CID 14027498

IUPAC3-(5,5-dimethyloxolan-2-yl)propanenitrile
SMILESCC1(C)CCC(CCC#N)O1
InChIInChI=1S/C9H15NO/c1-9(2)6-5-8(11-9)4-3-7-10/h8H,3-6H2,1-2H3
InChIKeyYIVLDJVZAQVZFD-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.25
Rot. Bonds2

About 3-(5,5-dimethyloxolan-2-yl)propanenitrile

3-(5,5-dimethyloxolan-2-yl)propanenitrile (PubChem CID 14027498) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(5,5-dimethyloxolan-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5,5-dimethyloxolan-2-yl)propanenitrile
PubChem CID14027498
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(5,5-dimethyloxolan-2-yl)propanenitrile
SMILESCC1(C)CCC(CCC#N)O1
InChIInChI=1S/C9H15NO/c1-9(2)6-5-8(11-9)4-3-7-10/h8H,3-6H2,1-2H3
InChIKeyYIVLDJVZAQVZFD-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyloxolan-2-yl)propanenitrile?
The IUPAC name of 3-(5,5-dimethyloxolan-2-yl)propanenitrile (CID 14027498) is 3-(5,5-dimethyloxolan-2-yl)propanenitrile.
What is the SMILES notation for 3-(5,5-dimethyloxolan-2-yl)propanenitrile?
The canonical SMILES for 3-(5,5-dimethyloxolan-2-yl)propanenitrile is CC1(C)CCC(CCC#N)O1.
What is the InChIKey of 3-(5,5-dimethyloxolan-2-yl)propanenitrile?
The InChIKey is YIVLDJVZAQVZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)6-5-8(11-9)4-3-7-10/h8H,3-6H2,1-2H3.
What are the key properties of 3-(5,5-dimethyloxolan-2-yl)propanenitrile?
3-(5,5-dimethyloxolan-2-yl)propanenitrile has a molecular weight of 153.22 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 3-(5,5-dimethyloxolan-2-yl)propanenitrile is sourced from PubChem (CID 14027498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).