2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate

C11H17NO4 — CID 126725740

IUPAC2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)N1CCCC1
InChIInChI=1S/C11H17NO4/c1-9(2)10(13)15-7-8-16-11(14)12-5-3-4-6-12/h1,3-8H2,2H3
InChIKeyMGTMRTPSGPPKDK-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.34
Rot. Bonds4

About 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate

2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate (PubChem CID 126725740) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
PubChem CID126725740
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)N1CCCC1
InChIInChI=1S/C11H17NO4/c1-9(2)10(13)15-7-8-16-11(14)12-5-3-4-6-12/h1,3-8H2,2H3
InChIKeyMGTMRTPSGPPKDK-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.34
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

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
propyl azepane-1-carboxylate
CID 91585333
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-aminoethyl piperidine-1-carboxylate
CID 58684414
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
ethyl azacycloundecane-1-carboxylate
CID 67670496
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate (CID 126725740) is 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate is C=C(C)C(=O)OCCOC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate?
The InChIKey is MGTMRTPSGPPKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-9(2)10(13)15-7-8-16-11(14)12-5-3-4-6-12/h1,3-8H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate?
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 126725740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).