N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide

C8H12N2O — CID 149017138

IUPACN-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide
SMILESC=N/C=C(\C=C/C)NC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-5-8(6-9-3)10-7(2)11/h4-6H,3H2,1-2H3,(H,10,11)/b5-4-,8-6+
InChIKeyQCTKBZMTNQGMNE-GSGSLZOQSA-N
MW152.20 g/mol
LogP1.24
Rot. Bonds3

About N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide

N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide (PubChem CID 149017138) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide
PubChem CID149017138
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide
SMILESC=N/C=C(\C=C/C)NC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-5-8(6-9-3)10-7(2)11/h4-6H,3H2,1-2H3,(H,10,11)/b5-4-,8-6+
InChIKeyQCTKBZMTNQGMNE-GSGSLZOQSA-N
XLogP1.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide?
The IUPAC name of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide (CID 149017138) is N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide.
What is the SMILES notation for N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide?
The canonical SMILES for N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide is C=N/C=C(\C=C/C)NC(C)=O.
What is the InChIKey of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide?
The InChIKey is QCTKBZMTNQGMNE-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-5-8(6-9-3)10-7(2)11/h4-6H,3H2,1-2H3,(H,10,11)/b5-4-,8-6+.
What are the key properties of N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide?
N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]acetamide is sourced from PubChem (CID 149017138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).