1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide

C13H22N2O3 — CID 71849160

IUPAC1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C13H22N2O3/c1-10(2)9-18-8-6-14-13(17)12-5-4-7-15(12)11(3)16/h12H,1,4-9H2,2-3H3,(H,14,17)
InChIKeyMBIDDVCLDWZSNO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.71
Rot. Bonds6

About 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 71849160) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID71849160
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C13H22N2O3/c1-10(2)9-18-8-6-14-13(17)12-5-4-7-15(12)11(3)16/h12H,1,4-9H2,2-3H3,(H,14,17)
InChIKeyMBIDDVCLDWZSNO-UHFFFAOYSA-N
XLogP0.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide (CID 71849160) is 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide is C=C(C)COCCNC(=O)C1CCCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MBIDDVCLDWZSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)9-18-8-6-14-13(17)12-5-4-7-15(12)11(3)16/h12H,1,4-9H2,2-3H3,(H,14,17).
What are the key properties of 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71849160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).