N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide

C12H16N2O — CID 159964166

IUPACN-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide
SMILESCC/C=C(\C=C1\C=CN=CC1)NC(C)=O
InChIInChI=1S/C12H16N2O/c1-3-4-12(14-10(2)15)9-11-5-7-13-8-6-11/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)/b11-9-,12-4+
InChIKeyODSCYJJEGOWXJH-PAPFAYTFSA-N
MW204.27 g/mol
LogP2.33
Rot. Bonds3

About N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide

N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide (PubChem CID 159964166) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide
PubChem CID159964166
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide
SMILESCC/C=C(\C=C1\C=CN=CC1)NC(C)=O
InChIInChI=1S/C12H16N2O/c1-3-4-12(14-10(2)15)9-11-5-7-13-8-6-11/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)/b11-9-,12-4+
InChIKeyODSCYJJEGOWXJH-PAPFAYTFSA-N
XLogP2.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide?
The IUPAC name of N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide (CID 159964166) is N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide?
The canonical SMILES for N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide is CC/C=C(\C=C1\C=CN=CC1)NC(C)=O.
What is the InChIKey of N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide?
The InChIKey is ODSCYJJEGOWXJH-PAPFAYTFSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-12(14-10(2)15)9-11-5-7-13-8-6-11/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)/b11-9-,12-4+.
What are the key properties of N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide?
N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide has a molecular weight of 204.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1E)-1-(3H-pyridin-4-ylidene)pent-2-en-2-yl]acetamide is sourced from PubChem (CID 159964166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).