(3R)-3-propan-2-yloxolane-3-carbonitrile

C8H13NO — CID 164551100

IUPAC(3R)-3-propan-2-yloxolane-3-carbonitrile
SMILESCC(C)[C@@]1(C#N)CCOC1
InChIInChI=1S/C8H13NO/c1-7(2)8(5-9)3-4-10-6-8/h7H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyZXYNWWDDORYYNX-MRVPVSSYSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds1

About (3R)-3-propan-2-yloxolane-3-carbonitrile

(3R)-3-propan-2-yloxolane-3-carbonitrile (PubChem CID 164551100) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3R)-3-propan-2-yloxolane-3-carbonitrile.

Molecular Properties

Compound Name(3R)-3-propan-2-yloxolane-3-carbonitrile
PubChem CID164551100
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3R)-3-propan-2-yloxolane-3-carbonitrile
SMILESCC(C)[C@@]1(C#N)CCOC1
InChIInChI=1S/C8H13NO/c1-7(2)8(5-9)3-4-10-6-8/h7H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyZXYNWWDDORYYNX-MRVPVSSYSA-N
XLogP1.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yloxolane-3-carbonitrile?
The IUPAC name of (3R)-3-propan-2-yloxolane-3-carbonitrile (CID 164551100) is (3R)-3-propan-2-yloxolane-3-carbonitrile.
What is the SMILES notation for (3R)-3-propan-2-yloxolane-3-carbonitrile?
The canonical SMILES for (3R)-3-propan-2-yloxolane-3-carbonitrile is CC(C)[C@@]1(C#N)CCOC1.
What is the InChIKey of (3R)-3-propan-2-yloxolane-3-carbonitrile?
The InChIKey is ZXYNWWDDORYYNX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)8(5-9)3-4-10-6-8/h7H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-propan-2-yloxolane-3-carbonitrile?
(3R)-3-propan-2-yloxolane-3-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yloxolane-3-carbonitrile is sourced from PubChem (CID 164551100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).