(5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile

C10H15NO3 — CID 90005117

IUPAC(5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile
SMILESCCC1[C@H](CO)OC(=O)C1(C#N)CC
InChIInChI=1S/C10H15NO3/c1-3-7-8(5-12)14-9(13)10(7,4-2)6-11/h7-8,12H,3-5H2,1-2H3/t7?,8-,10?/m0/s1
InChIKeyHKRYIPQTFOJQPF-ZCUBBSJVSA-N
MW197.23 g/mol
LogP0.85
Rot. Bonds3

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

(5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile (PubChem CID 90005117) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile.

Molecular Properties

Compound Name(5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile
PubChem CID90005117
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile
SMILESCCC1[C@H](CO)OC(=O)C1(C#N)CC
InChIInChI=1S/C10H15NO3/c1-3-7-8(5-12)14-9(13)10(7,4-2)6-11/h7-8,12H,3-5H2,1-2H3/t7?,8-,10?/m0/s1
InChIKeyHKRYIPQTFOJQPF-ZCUBBSJVSA-N
XLogP0.85
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile?
The IUPAC name of (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile (CID 90005117) is (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile.
What is the SMILES notation for (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile?
The canonical SMILES for (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile is CCC1[C@H](CO)OC(=O)C1(C#N)CC.
What is the InChIKey of (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile?
The InChIKey is HKRYIPQTFOJQPF-ZCUBBSJVSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-7-8(5-12)14-9(13)10(7,4-2)6-11/h7-8,12H,3-5H2,1-2H3/t7?,8-,10?/m0/s1.
What are the key properties of (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile?
(5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile has a molecular weight of 197.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,4-diethyl-5-(hydroxymethyl)-2-oxooxolane-3-carbonitrile is sourced from PubChem (CID 90005117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).