N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide

C10H16N2O — CID 114693610

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide
SMILESC=CCC(=O)NCC1=CCNCC1
InChIInChI=1S/C10H16N2O/c1-2-3-10(13)12-8-9-4-6-11-7-5-9/h2,4,11H,1,3,5-8H2,(H,12,13)
InChIKeyQPWHWQCZTOLAMH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.60
Rot. Bonds4

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide (PubChem CID 114693610) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide
PubChem CID114693610
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide
SMILESC=CCC(=O)NCC1=CCNCC1
InChIInChI=1S/C10H16N2O/c1-2-3-10(13)12-8-9-4-6-11-7-5-9/h2,4,11H,1,3,5-8H2,(H,12,13)
InChIKeyQPWHWQCZTOLAMH-UHFFFAOYSA-N
XLogP0.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide (CID 114693610) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide is C=CCC(=O)NCC1=CCNCC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide?
The InChIKey is QPWHWQCZTOLAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-10(13)12-8-9-4-6-11-7-5-9/h2,4,11H,1,3,5-8H2,(H,12,13).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide has a molecular weight of 180.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide is sourced from PubChem (CID 114693610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).