3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide

C13H24N2O — CID 103826138

IUPAC3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC2(C)CCC2)CCNC1
InChIInChI=1S/C13H24N2O/c1-3-13(7-8-14-10-13)11(16)15-9-12(2)5-4-6-12/h14H,3-10H2,1-2H3,(H,15,16)
InChIKeyNRYWYLNMNJEQJT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds4

About 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 103826138) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
PubChem CID103826138
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC2(C)CCC2)CCNC1
InChIInChI=1S/C13H24N2O/c1-3-13(7-8-14-10-13)11(16)15-9-12(2)5-4-6-12/h14H,3-10H2,1-2H3,(H,15,16)
InChIKeyNRYWYLNMNJEQJT-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide (CID 103826138) is 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NCC2(C)CCC2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is NRYWYLNMNJEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-13(7-8-14-10-13)11(16)15-9-12(2)5-4-6-12/h14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 103826138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).