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

C9H14N2O — CID 114693829

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1=CCNCC1
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-7-8-3-5-10-6-4-8/h2-3,10H,1,4-7H2,(H,11,12)
InChIKeyVLVZEDCUFOMHAS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.21
Rot. Bonds3

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

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide (PubChem CID 114693829) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
PubChem CID114693829
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1=CCNCC1
InChIInChI=1S/C9H14N2O/c1-2-9(12)11-7-8-3-5-10-6-4-8/h2-3,10H,1,4-7H2,(H,11,12)
InChIKeyVLVZEDCUFOMHAS-UHFFFAOYSA-N
XLogP0.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide (CID 114693829) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide is C=CC(=O)NCC1=CCNCC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is VLVZEDCUFOMHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(12)11-7-8-3-5-10-6-4-8/h2-3,10H,1,4-7H2,(H,11,12).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 0.21, 3 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)prop-2-enamide is sourced from PubChem (CID 114693829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).