N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide

C11H20N2O2 — CID 103833117

IUPACN-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCC1CC1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C11H20N2O2/c1-3-7-4-9(7)13-11(14)10-5-8(15-2)6-12-10/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyBKYUOIOIYKMIFJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.28
Rot. Bonds4

About N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 103833117) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID103833117
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCC1CC1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C11H20N2O2/c1-3-7-4-9(7)13-11(14)10-5-8(15-2)6-12-10/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyBKYUOIOIYKMIFJ-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide (CID 103833117) is N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide is CCC1CC1NC(=O)C1CC(OC)CN1.
What is the InChIKey of N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is BKYUOIOIYKMIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-7-4-9(7)13-11(14)10-5-8(15-2)6-12-10/h7-10,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103833117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).