4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide

C14H21N3O3 — CID 116678797

IUPAC4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESCC(C(=O)N1CCOCC1C(=O)NC1CC1)=C1CNC1
InChIInChI=1S/C14H21N3O3/c1-9(10-6-15-7-10)14(19)17-4-5-20-8-12(17)13(18)16-11-2-3-11/h11-12,15H,2-8H2,1H3,(H,16,18)
InChIKeyBKIHVCOSEDUZJV-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.59
Rot. Bonds3

About 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide

4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 116678797) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID116678797
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESCC(C(=O)N1CCOCC1C(=O)NC1CC1)=C1CNC1
InChIInChI=1S/C14H21N3O3/c1-9(10-6-15-7-10)14(19)17-4-5-20-8-12(17)13(18)16-11-2-3-11/h11-12,15H,2-8H2,1H3,(H,16,18)
InChIKeyBKIHVCOSEDUZJV-UHFFFAOYSA-N
XLogP-0.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(azetidin-3-ylidene)propanoyl]-N-methylmorpholine-3-carboxamide
CID 116678793
1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676327
4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid
CID 116678233
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
4-[2-[(2-aminoacetyl)amino]acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83097064
N-cyclopropyl-4-(6-fluoropyridine-3-carbonyl)morpholine-3-carboxamide
CID 83098403

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide (CID 116678797) is 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide is CC(C(=O)N1CCOCC1C(=O)NC1CC1)=C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is BKIHVCOSEDUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(10-6-15-7-10)14(19)17-4-5-20-8-12(17)13(18)16-11-2-3-11/h11-12,15H,2-8H2,1H3,(H,16,18).
What are the key properties of 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 116678797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).