5-(4-chlorophenyl)oxolane-3-carbonitrile

C11H10ClNO — CID 139520495

IUPAC5-(4-chlorophenyl)oxolane-3-carbonitrile
SMILESN#CC1COC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H10ClNO/c12-10-3-1-9(2-4-10)11-5-8(6-13)7-14-11/h1-4,8,11H,5,7H2
InChIKeyXMCNMSLIDFXOLH-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.94
Rot. Bonds1

About 5-(4-chlorophenyl)oxolane-3-carbonitrile

5-(4-chlorophenyl)oxolane-3-carbonitrile (PubChem CID 139520495) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)oxolane-3-carbonitrile
PubChem CID139520495
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name5-(4-chlorophenyl)oxolane-3-carbonitrile
SMILESN#CC1COC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H10ClNO/c12-10-3-1-9(2-4-10)11-5-8(6-13)7-14-11/h1-4,8,11H,5,7H2
InChIKeyXMCNMSLIDFXOLH-UHFFFAOYSA-N
XLogP2.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)oxolane-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)oxolane-3-carbonitrile (CID 139520495) is 5-(4-chlorophenyl)oxolane-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)oxolane-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)oxolane-3-carbonitrile is N#CC1COC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-(4-chlorophenyl)oxolane-3-carbonitrile?
The InChIKey is XMCNMSLIDFXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-10-3-1-9(2-4-10)11-5-8(6-13)7-14-11/h1-4,8,11H,5,7H2.
What are the key properties of 5-(4-chlorophenyl)oxolane-3-carbonitrile?
5-(4-chlorophenyl)oxolane-3-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)oxolane-3-carbonitrile is sourced from PubChem (CID 139520495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).