1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one

C10H18N2O2 — CID 109011993

IUPAC1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
SMILESC=CCNCCC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-2-4-11-5-3-10(13)12-6-8-14-9-7-12/h2,11H,1,3-9H2
InChIKeyRLBHFVARAFJXSO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.01
Rot. Bonds5

About 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one

1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one (PubChem CID 109011993) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
PubChem CID109011993
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
SMILESC=CCNCCC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-2-4-11-5-3-10(13)12-6-8-14-9-7-12/h2,11H,1,3-9H2
InChIKeyRLBHFVARAFJXSO-UHFFFAOYSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.01
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

1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113411282
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]but-3-enoate
CID 114242559
1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615757
3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(prop-2-enylamino)propan-1-one
CID 109012047
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103033572
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
methyl 2-bromo-3-[(3-morpholin-4-yl-3-oxopropyl)amino]propanoate
CID 103263000

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one (CID 109011993) is 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one is C=CCNCCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one?
The InChIKey is RLBHFVARAFJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-4-11-5-3-10(13)12-6-8-14-9-7-12/h2,11H,1,3-9H2.
What are the key properties of 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one?
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one has a molecular weight of 198.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one is sourced from PubChem (CID 109011993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).