2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

C12H19N3O2 — CID 114693608

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESO=C(CN1CCCC1=O)NCC1=CCNCC1
InChIInChI=1S/C12H19N3O2/c16-11(9-15-7-1-2-12(15)17)14-8-10-3-5-13-6-4-10/h3,13H,1-2,4-9H2,(H,14,16)
InChIKeyOXEDINZMFWCEJJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.36
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide

2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (PubChem CID 114693608) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
PubChem CID114693608
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
SMILESO=C(CN1CCCC1=O)NCC1=CCNCC1
InChIInChI=1S/C12H19N3O2/c16-11(9-15-7-1-2-12(15)17)14-8-10-3-5-13-6-4-10/h3,13H,1-2,4-9H2,(H,14,16)
InChIKeyOXEDINZMFWCEJJ-UHFFFAOYSA-N
XLogP-0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide (CID 114693608) is 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is O=C(CN1CCCC1=O)NCC1=CCNCC1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
The InChIKey is OXEDINZMFWCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11(9-15-7-1-2-12(15)17)14-8-10-3-5-13-6-4-10/h3,13H,1-2,4-9H2,(H,14,16).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 114693608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).