N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide

C11H20N2O2 — CID 103853127

IUPACN-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide
SMILESC=CCCOCCNC(=O)N1CCCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-9-15-10-6-12-11(14)13-7-4-5-8-13/h2H,1,3-10H2,(H,12,14)
InChIKeyKYOWJIFVHQTVLK-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.38
Rot. Bonds6

About N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide

N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide (PubChem CID 103853127) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide
PubChem CID103853127
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide
SMILESC=CCCOCCNC(=O)N1CCCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-9-15-10-6-12-11(14)13-7-4-5-8-13/h2H,1,3-10H2,(H,12,14)
InChIKeyKYOWJIFVHQTVLK-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide (CID 103853127) is N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide is C=CCCOCCNC(=O)N1CCCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is KYOWJIFVHQTVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-9-15-10-6-12-11(14)13-7-4-5-8-13/h2H,1,3-10H2,(H,12,14).
What are the key properties of N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide?
N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103853127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).