N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide

C14H24N2O2 — CID 99857662

IUPACN-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NC2CC=CC2)CC(C)(C)O1
InChIInChI=1S/C14H24N2O2/c1-13(2)9-16(10-14(3,4)18-13)12(17)15-11-7-5-6-8-11/h5-6,11H,7-10H2,1-4H3,(H,15,17)
InChIKeyAIGRWZNJZAQVCL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.30
Rot. Bonds1

About N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide

N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide (PubChem CID 99857662) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide
PubChem CID99857662
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NC2CC=CC2)CC(C)(C)O1
InChIInChI=1S/C14H24N2O2/c1-13(2)9-16(10-14(3,4)18-13)12(17)15-11-7-5-6-8-11/h5-6,11H,7-10H2,1-4H3,(H,15,17)
InChIKeyAIGRWZNJZAQVCL-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide (CID 99857662) is N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide is CC1(C)CN(C(=O)NC2CC=CC2)CC(C)(C)O1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide?
The InChIKey is AIGRWZNJZAQVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)9-16(10-14(3,4)18-13)12(17)15-11-7-5-6-8-11/h5-6,11H,7-10H2,1-4H3,(H,15,17).
What are the key properties of N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide?
N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2,2,6,6-tetramethylmorpholine-4-carboxamide is sourced from PubChem (CID 99857662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).