3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate

C15H23NO4 — CID 102248300

IUPAC3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN1CCCC1OC(=O)C(=C)C
InChIInChI=1S/C15H23NO4/c1-11(2)14(17)19-10-6-9-16-8-5-7-13(16)20-15(18)12(3)4/h13H,1,3,5-10H2,2,4H3
InChIKeyWZRILVQXMLFGAU-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.04
Rot. Bonds7

About 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate

3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate (PubChem CID 102248300) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate
PubChem CID102248300
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN1CCCC1OC(=O)C(=C)C
InChIInChI=1S/C15H23NO4/c1-11(2)14(17)19-10-6-9-16-8-5-7-13(16)20-15(18)12(3)4/h13H,1,3,5-10H2,2,4H3
InChIKeyWZRILVQXMLFGAU-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
CID 23094248
CID 23094248
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
CID 142509659

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate (CID 102248300) is 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN1CCCC1OC(=O)C(=C)C.
What is the InChIKey of 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate?
The InChIKey is WZRILVQXMLFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)14(17)19-10-6-9-16-8-5-7-13(16)20-15(18)12(3)4/h13H,1,3,5-10H2,2,4H3.
What are the key properties of 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate?
3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate has a molecular weight of 281.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoyloxy)pyrrolidin-1-yl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 102248300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).