propyl 2-pyrrolidin-1-ylprop-2-enoate

C10H17NO2 — CID 146541157

IUPACpropyl 2-pyrrolidin-1-ylprop-2-enoate
SMILESC=C(C(=O)OCCC)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-8-13-10(12)9(2)11-6-4-5-7-11/h2-8H2,1H3
InChIKeyHMPBZVAEUDRLJZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds4

About propyl 2-pyrrolidin-1-ylprop-2-enoate

propyl 2-pyrrolidin-1-ylprop-2-enoate (PubChem CID 146541157) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is propyl 2-pyrrolidin-1-ylprop-2-enoate.

Molecular Properties

Compound Namepropyl 2-pyrrolidin-1-ylprop-2-enoate
PubChem CID146541157
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namepropyl 2-pyrrolidin-1-ylprop-2-enoate
SMILESC=C(C(=O)OCCC)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-8-13-10(12)9(2)11-6-4-5-7-11/h2-8H2,1H3
InChIKeyHMPBZVAEUDRLJZ-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl azepane-1-carboxylate
CID 91585333
propyl 2-cyclopentylprop-2-enoate
CID 174733277
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740
2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate
CID 146541159
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
propyl 2-bromoprop-2-enoate
CID 71576373
propyl 2-silylprop-2-enoate
CID 173152802
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
ethyl azetidine-1-carboxylate
CID 14088501

Frequently Asked Questions

What is the IUPAC name of propyl 2-pyrrolidin-1-ylprop-2-enoate?
The IUPAC name of propyl 2-pyrrolidin-1-ylprop-2-enoate (CID 146541157) is propyl 2-pyrrolidin-1-ylprop-2-enoate.
What is the SMILES notation for propyl 2-pyrrolidin-1-ylprop-2-enoate?
The canonical SMILES for propyl 2-pyrrolidin-1-ylprop-2-enoate is C=C(C(=O)OCCC)N1CCCC1.
What is the InChIKey of propyl 2-pyrrolidin-1-ylprop-2-enoate?
The InChIKey is HMPBZVAEUDRLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-13-10(12)9(2)11-6-4-5-7-11/h2-8H2,1H3.
What are the key properties of propyl 2-pyrrolidin-1-ylprop-2-enoate?
propyl 2-pyrrolidin-1-ylprop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-pyrrolidin-1-ylprop-2-enoate is sourced from PubChem (CID 146541157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).