(E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide

C11H14N2O — CID 78979286

IUPAC(E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide
SMILESC/C=C/C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-3-6-11(14)13-9(2)10-7-4-5-8-12-10/h3-9H,1-2H3,(H,13,14)/b6-3+/t9-/m0/s1
InChIKeyIUDSIKHCDQSCEL-SWTNXBIASA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds3

About (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide

(E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide (PubChem CID 78979286) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide
PubChem CID78979286
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide
SMILESC/C=C/C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-3-6-11(14)13-9(2)10-7-4-5-8-12-10/h3-9H,1-2H3,(H,13,14)/b6-3+/t9-/m0/s1
InChIKeyIUDSIKHCDQSCEL-SWTNXBIASA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide
CID 115344795
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
N-[1-(2-methylphenyl)ethyl]but-2-enamide
CID 78906695
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide (CID 78979286) is (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide is C/C=C/C(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide?
The InChIKey is IUDSIKHCDQSCEL-SWTNXBIASA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-6-11(14)13-9(2)10-7-4-5-8-12-10/h3-9H,1-2H3,(H,13,14)/b6-3+/t9-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide?
(E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-pyridin-2-ylethyl]but-2-enamide is sourced from PubChem (CID 78979286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).