2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile

C12H18N2O — CID 2802205

IUPAC2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile
SMILESN#CC(C1CC=CCC1)N1CCOCC1
InChIInChI=1S/C12H18N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-2,11-12H,3-9H2
InChIKeyCQZNTLAXGNDCHI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.57
Rot. Bonds2

About 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile

2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile (PubChem CID 2802205) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile
PubChem CID2802205
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile
SMILESN#CC(C1CC=CCC1)N1CCOCC1
InChIInChI=1S/C12H18N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-2,11-12H,3-9H2
InChIKeyCQZNTLAXGNDCHI-UHFFFAOYSA-N
XLogP1.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile (CID 2802205) is 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile is N#CC(C1CC=CCC1)N1CCOCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile?
The InChIKey is CQZNTLAXGNDCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-2,11-12H,3-9H2.
What are the key properties of 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile?
2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile has a molecular weight of 206.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 2802205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).