N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide

C12H20N2O2 — CID 107486669

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCOC1
InChIInChI=1S/C12H20N2O2/c15-12(11-4-8-16-9-11)14-7-3-10-1-5-13-6-2-10/h1,11,13H,2-9H2,(H,14,15)
InChIKeyZOYOUCLBTWOURI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 107486669) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID107486669
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCOC1
InChIInChI=1S/C12H20N2O2/c15-12(11-4-8-16-9-11)14-7-3-10-1-5-13-6-2-10/h1,11,13H,2-9H2,(H,14,15)
InChIKeyZOYOUCLBTWOURI-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
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 N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide (CID 107486669) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide is O=C(NCCC1=CCNCC1)C1CCOC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is ZOYOUCLBTWOURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(11-4-8-16-9-11)14-7-3-10-1-5-13-6-2-10/h1,11,13H,2-9H2,(H,14,15).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 107486669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).