1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate

C10H17NO2 — CID 23504393

IUPAC1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-8(2)10(12)13-9(3)11-6-4-5-7-11/h9H,1,4-7H2,2-3H3
InChIKeyQLGHKEDKOQUQBP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds3

About 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate

1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate (PubChem CID 23504393) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate
PubChem CID23504393
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N1CCCC1
InChIInChI=1S/C10H17NO2/c1-8(2)10(12)13-9(3)11-6-4-5-7-11/h9H,1,4-7H2,2-3H3
InChIKeyQLGHKEDKOQUQBP-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate?
The IUPAC name of 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate (CID 23504393) is 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate?
The InChIKey is QLGHKEDKOQUQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)10(12)13-9(3)11-6-4-5-7-11/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate?
1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23504393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).