4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile

C13H18N2O2 — CID 71980158

IUPAC4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C13H18N2O2/c14-9-12-10-17-7-6-15(12)13(16)8-11-4-2-1-3-5-11/h4,12H,1-3,5-8,10H2
InChIKeyQQWCRFWKSSONPB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds2

About 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile

4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile (PubChem CID 71980158) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile
PubChem CID71980158
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile
SMILESN#CC1COCCN1C(=O)CC1=CCCCC1
InChIInChI=1S/C13H18N2O2/c14-9-12-10-17-7-6-15(12)13(16)8-11-4-2-1-3-5-11/h4,12H,1-3,5-8,10H2
InChIKeyQQWCRFWKSSONPB-UHFFFAOYSA-N
XLogP1.63
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
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 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile?
The IUPAC name of 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile (CID 71980158) is 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile is N#CC1COCCN1C(=O)CC1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile?
The InChIKey is QQWCRFWKSSONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-12-10-17-7-6-15(12)13(16)8-11-4-2-1-3-5-11/h4,12H,1-3,5-8,10H2.
What are the key properties of 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile?
4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)acetyl]morpholine-3-carbonitrile is sourced from PubChem (CID 71980158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).