N-(morpholin-3-ylmethyl)but-3-enamide

C9H16N2O2 — CID 103548351

IUPACN-(morpholin-3-ylmethyl)but-3-enamide
SMILESC=CCC(=O)NCC1COCCN1
InChIInChI=1S/C9H16N2O2/c1-2-3-9(12)11-6-8-7-13-5-4-10-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyYKZZHTVZYFGNDU-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.33
Rot. Bonds4

About N-(morpholin-3-ylmethyl)but-3-enamide

N-(morpholin-3-ylmethyl)but-3-enamide (PubChem CID 103548351) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)but-3-enamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)but-3-enamide
PubChem CID103548351
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(morpholin-3-ylmethyl)but-3-enamide
SMILESC=CCC(=O)NCC1COCCN1
InChIInChI=1S/C9H16N2O2/c1-2-3-9(12)11-6-8-7-13-5-4-10-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyYKZZHTVZYFGNDU-UHFFFAOYSA-N
XLogP-0.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657
morpholin-3-ylmethylurea
CID 103548775
1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
2-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
2,2,3,3-tetramethyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548670
N-(morpholin-3-ylmethyl)-4-phenylbutanamide
CID 103548407
N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103548442
2-methyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548262
3-prop-2-enyl-(313C)1,4-oxazinane
CID 173137376
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
N-(2-but-3-enoxyethyl)-2-morpholin-3-ylacetamide
CID 106398158
N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 103548678

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)but-3-enamide?
The IUPAC name of N-(morpholin-3-ylmethyl)but-3-enamide (CID 103548351) is N-(morpholin-3-ylmethyl)but-3-enamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)but-3-enamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)but-3-enamide is C=CCC(=O)NCC1COCCN1.
What is the InChIKey of N-(morpholin-3-ylmethyl)but-3-enamide?
The InChIKey is YKZZHTVZYFGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-9(12)11-6-8-7-13-5-4-10-8/h2,8,10H,1,3-7H2,(H,11,12).
What are the key properties of N-(morpholin-3-ylmethyl)but-3-enamide?
N-(morpholin-3-ylmethyl)but-3-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)but-3-enamide is sourced from PubChem (CID 103548351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).