3-(1,3-oxazinan-3-yl)propyl but-2-enoate

C11H19NO3 — CID 69421354

IUPAC3-(1,3-oxazinan-3-yl)propyl but-2-enoate
SMILESCC=CC(=O)OCCCN1CCCOC1
InChIInChI=1S/C11H19NO3/c1-2-5-11(13)15-9-4-7-12-6-3-8-14-10-12/h2,5H,3-4,6-10H2,1H3
InChIKeyUJJMXQPQYAASEM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.18
Rot. Bonds5

About 3-(1,3-oxazinan-3-yl)propyl but-2-enoate

3-(1,3-oxazinan-3-yl)propyl but-2-enoate (PubChem CID 69421354) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(1,3-oxazinan-3-yl)propyl but-2-enoate.

Molecular Properties

Compound Name3-(1,3-oxazinan-3-yl)propyl but-2-enoate
PubChem CID69421354
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(1,3-oxazinan-3-yl)propyl but-2-enoate
SMILESCC=CC(=O)OCCCN1CCCOC1
InChIInChI=1S/C11H19NO3/c1-2-5-11(13)15-9-4-7-12-6-3-8-14-10-12/h2,5H,3-4,6-10H2,1H3
InChIKeyUJJMXQPQYAASEM-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoic acid
CID 71711598
4-(8-morpholin-4-yloctoxy)-4-oxobut-2-enoic acid
CID 154097579
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]ethyl (E)-but-2-enoate
CID 6283253
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
(E)-4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]-4-oxobut-2-enoic acid
CID 142800259
dodecyl (E)-but-2-enoate
CID 5462914
bis(3-but-2-enoyloxypropyl) cyclohexane-1,2-dicarboxylate
CID 66681293
4-O-[2-[(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoyl]oxy-3-piperidin-1-ylpropyl] 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate
CID 122436307
bis[2-(1,3-oxazolidin-3-yl)ethyl] carbonate
CID 143940358
3-but-2-enoyloxypropylphosphonous acid
CID 151118739

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazinan-3-yl)propyl but-2-enoate?
The IUPAC name of 3-(1,3-oxazinan-3-yl)propyl but-2-enoate (CID 69421354) is 3-(1,3-oxazinan-3-yl)propyl but-2-enoate.
What is the SMILES notation for 3-(1,3-oxazinan-3-yl)propyl but-2-enoate?
The canonical SMILES for 3-(1,3-oxazinan-3-yl)propyl but-2-enoate is CC=CC(=O)OCCCN1CCCOC1.
What is the InChIKey of 3-(1,3-oxazinan-3-yl)propyl but-2-enoate?
The InChIKey is UJJMXQPQYAASEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-5-11(13)15-9-4-7-12-6-3-8-14-10-12/h2,5H,3-4,6-10H2,1H3.
What are the key properties of 3-(1,3-oxazinan-3-yl)propyl but-2-enoate?
3-(1,3-oxazinan-3-yl)propyl but-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazinan-3-yl)propyl but-2-enoate is sourced from PubChem (CID 69421354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).