N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide

C12H21N3O2 — CID 3156727

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC1CCCN1CC
InChIInChI=1S/C12H21N3O2/c1-3-7-13-11(16)12(17)14-9-10-6-5-8-15(10)4-2/h3,10H,1,4-9H2,2H3,(H,13,16)(H,14,17)
InChIKeyMKWFUHKGXCNUHU-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.11
Rot. Bonds5

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide

N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide (PubChem CID 3156727) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide
PubChem CID3156727
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC1CCCN1CC
InChIInChI=1S/C12H21N3O2/c1-3-7-13-11(16)12(17)14-9-10-6-5-8-15(10)4-2/h3,10H,1,4-9H2,2H3,(H,13,16)(H,14,17)
InChIKeyMKWFUHKGXCNUHU-UHFFFAOYSA-N
XLogP-0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide (CID 3156727) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC1CCCN1CC.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide?
The InChIKey is MKWFUHKGXCNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-7-13-11(16)12(17)14-9-10-6-5-8-15(10)4-2/h3,10H,1,4-9H2,2H3,(H,13,16)(H,14,17).
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide has a molecular weight of 239.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 3156727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).