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

C15H24N2O3 — CID 115700393

IUPAC1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C15H24N2O3/c1-11(2)10-20-9-7-16-14(18)13-4-3-8-17(13)15(19)12-5-6-12/h12-13H,1,3-10H2,2H3,(H,16,18)
InChIKeyYOHNLHXARPQTBY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.10
Rot. Bonds7

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

1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 115700393) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID115700393
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C15H24N2O3/c1-11(2)10-20-9-7-16-14(18)13-4-3-8-17(13)15(19)12-5-6-12/h12-13H,1,3-10H2,2H3,(H,16,18)
InChIKeyYOHNLHXARPQTBY-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.10
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-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide (CID 115700393) is 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide is C=C(C)COCCNC(=O)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YOHNLHXARPQTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)10-20-9-7-16-14(18)13-4-3-8-17(13)15(19)12-5-6-12/h12-13H,1,3-10H2,2H3,(H,16,18).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115700393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).