N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide

C12H21N3O2 — CID 61213070

IUPACN-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CC(OC)CN1
InChIInChI=1S/C12H21N3O2/c1-4-15(8-9(2)6-13)12(16)11-5-10(17-3)7-14-11/h9-11,14H,4-5,7-8H2,1-3H3
InChIKeyFCDRJSPVDKUSIQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide

N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213070) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213070
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CC(OC)CN1
InChIInChI=1S/C12H21N3O2/c1-4-15(8-9(2)6-13)12(16)11-5-10(17-3)7-14-11/h9-11,14H,4-5,7-8H2,1-3H3
InChIKeyFCDRJSPVDKUSIQ-UHFFFAOYSA-N
XLogP0.37
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide (CID 61213070) is N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide is CCN(CC(C)C#N)C(=O)C1CC(OC)CN1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is FCDRJSPVDKUSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15(8-9(2)6-13)12(16)11-5-10(17-3)7-14-11/h9-11,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide?
N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).