tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate

C15H25NO4 — CID 103553978

IUPACtert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
SMILESC=CCCCC(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-5-6-7-8-13(17)12-11-19-10-9-16(12)14(18)20-15(2,3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyLFRRZUZJDXDJHA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.55
Rot. Bonds5

About tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate

tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate (PubChem CID 103553978) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
PubChem CID103553978
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
SMILESC=CCCCC(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-5-6-7-8-13(17)12-11-19-10-9-16(12)14(18)20-15(2,3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyLFRRZUZJDXDJHA-UHFFFAOYSA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-hex-5-enoylpyrrolidine-1-carboxylate
CID 162183794
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl (2S)-2-hept-6-enoylpyrrolidine-1-carboxylate
CID 146165167
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
CID 126623302
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate (CID 103553978) is tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate is C=CCCCC(=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate?
The InChIKey is LFRRZUZJDXDJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-6-7-8-13(17)12-11-19-10-9-16(12)14(18)20-15(2,3)4/h5,12H,1,6-11H2,2-4H3.
What are the key properties of tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate?
tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate is sourced from PubChem (CID 103553978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).