4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide

C14H22N2O3 — CID 84599772

IUPAC4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CC2=CCCCC2)CCO1
InChIInChI=1S/C14H22N2O3/c1-15-14(18)12-10-16(7-8-19-12)13(17)9-11-5-3-2-4-6-11/h5,12H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyBFEAHTBJUCQMNI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide

4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide (PubChem CID 84599772) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
PubChem CID84599772
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CC2=CCCCC2)CCO1
InChIInChI=1S/C14H22N2O3/c1-15-14(18)12-10-16(7-8-19-12)13(17)9-11-5-3-2-4-6-11/h5,12H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyBFEAHTBJUCQMNI-UHFFFAOYSA-N
XLogP0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
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]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide (CID 84599772) is 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(C(=O)CC2=CCCCC2)CCO1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is BFEAHTBJUCQMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-14(18)12-10-16(7-8-19-12)13(17)9-11-5-3-2-4-6-11/h5,12H,2-4,6-10H2,1H3,(H,15,18).
What are the key properties of 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide?
4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 84599772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).