1-morpholin-4-yl-2-(prop-2-enylamino)ethanone

C9H16N2O2 — CID 28563498

IUPAC1-morpholin-4-yl-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O2/c1-2-3-10-8-9(12)11-4-6-13-7-5-11/h2,10H,1,3-8H2
InChIKeyQPEJLDIURKRATL-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.38
Rot. Bonds4

About 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone

1-morpholin-4-yl-2-(prop-2-enylamino)ethanone (PubChem CID 28563498) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(prop-2-enylamino)ethanone
PubChem CID28563498
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-morpholin-4-yl-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O2/c1-2-3-10-8-9(12)11-4-6-13-7-5-11/h2,10H,1,3-8H2
InChIKeyQPEJLDIURKRATL-UHFFFAOYSA-N
XLogP-0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(morpholin-4-yl)propyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2291499
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-enylacetamide
CID 53516282
2-[(3S)-3-ethoxypiperidin-1-yl]-N-prop-2-enylacetamide
CID 95632866
N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 60567863
2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79280589
N-[2-(2,2-difluoroethoxy)ethyl]-2-(prop-2-enylamino)acetamide
CID 105910361
2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
CID 119748924
N-[2-(morpholin-4-yl)ethyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2271108
N-(2-Morpholinoethyl)acrylamide
CID 10241489
N-(3-Morpholinopropyl)acrylamide
CID 11735756
N-[4-(2-piperazin-1-ylethoxy)butyl]prop-2-enamide
CID 20214010

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone (CID 28563498) is 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone?
The InChIKey is QPEJLDIURKRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-10-8-9(12)11-4-6-13-7-5-11/h2,10H,1,3-8H2.
What are the key properties of 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone?
1-morpholin-4-yl-2-(prop-2-enylamino)ethanone has a molecular weight of 184.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 28563498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).