(5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile

C8H11NO2 — CID 89333741

IUPAC(5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile
SMILESC[C@H]1OC(=O)C(C#N)C1(C)C
InChIInChI=1S/C8H11NO2/c1-5-8(2,3)6(4-9)7(10)11-5/h5-6H,1-3H3/t5-,6?/m1/s1
InChIKeyWKIJFKXLLMLCLQ-LWOQYNTDSA-N
MW153.18 g/mol
LogP1.10
Rot. Bonds

About (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile

(5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile (PubChem CID 89333741) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile.

Molecular Properties

Compound Name(5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile
PubChem CID89333741
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile
SMILESC[C@H]1OC(=O)C(C#N)C1(C)C
InChIInChI=1S/C8H11NO2/c1-5-8(2,3)6(4-9)7(10)11-5/h5-6H,1-3H3/t5-,6?/m1/s1
InChIKeyWKIJFKXLLMLCLQ-LWOQYNTDSA-N
XLogP1.10
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile?
The IUPAC name of (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile (CID 89333741) is (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile.
What is the SMILES notation for (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile?
The canonical SMILES for (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile is C[C@H]1OC(=O)C(C#N)C1(C)C.
What is the InChIKey of (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile?
The InChIKey is WKIJFKXLLMLCLQ-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-8(2,3)6(4-9)7(10)11-5/h5-6H,1-3H3/t5-,6?/m1/s1.
What are the key properties of (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile?
(5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile has a molecular weight of 153.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4,5-trimethyl-2-oxooxolane-3-carbonitrile is sourced from PubChem (CID 89333741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).