4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide

C12H19N3O3 — CID 83096842

IUPAC4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H19N3O3/c1-14-11(16)10-7-18-5-4-15(10)12(17)8-2-3-9(13)6-8/h2-3,8-10H,4-7,13H2,1H3,(H,14,16)
InChIKeyKTYRIDMLGMOSLD-UHFFFAOYSA-N
MW253.30 g/mol
LogP-1.14
Rot. Bonds2

About 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide

4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83096842) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide
PubChem CID83096842
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H19N3O3/c1-14-11(16)10-7-18-5-4-15(10)12(17)8-2-3-9(13)6-8/h2-3,8-10H,4-7,13H2,1H3,(H,14,16)
InChIKeyKTYRIDMLGMOSLD-UHFFFAOYSA-N
XLogP-1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide (CID 83096842) is 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KTYRIDMLGMOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-11(16)10-7-18-5-4-15(10)12(17)8-2-3-9(13)6-8/h2-3,8-10H,4-7,13H2,1H3,(H,14,16).
What are the key properties of 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide?
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83096842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).