(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide

C11H18N2O — CID 107486630

IUPAC(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H18N2O/c1-2-3-11(14)13-9-6-10-4-7-12-8-5-10/h2-4,12H,5-9H2,1H3,(H,13,14)/b3-2+
InChIKeyDHFAMIPIWCONCP-NSCUHMNNSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds4

About (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide

(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide (PubChem CID 107486630) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
PubChem CID107486630
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCC1=CCNCC1
InChIInChI=1S/C11H18N2O/c1-2-3-11(14)13-9-6-10-4-7-12-8-5-10/h2-4,12H,5-9H2,1H3,(H,13,14)/b3-2+
InChIKeyDHFAMIPIWCONCP-NSCUHMNNSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
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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Related Compounds

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
CID 107487391
4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107487317
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
CID 107487262
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114693829
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 107487064
5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
CID 107487184

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide (CID 107486630) is (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide is C/C=C/C(=O)NCCC1=CCNCC1.
What is the InChIKey of (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide?
The InChIKey is DHFAMIPIWCONCP-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-11(14)13-9-6-10-4-7-12-8-5-10/h2-4,12H,5-9H2,1H3,(H,13,14)/b3-2+.
What are the key properties of (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide?
(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide is sourced from PubChem (CID 107486630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).