N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide

C8H12N2O — CID 23388689

IUPACN-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
SMILESC=C/C(=C\C=N\C)NC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-8(5-6-9-3)10-7(2)11/h4-6H,1H2,2-3H3,(H,10,11)/b8-5+,9-6+
InChIKeyOATWRGJMFAWBQC-XVYDYJIPSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds3

About N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide

N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide (PubChem CID 23388689) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
PubChem CID23388689
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
SMILESC=C/C(=C\C=N\C)NC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-8(5-6-9-3)10-7(2)11/h4-6H,1H2,2-3H3,(H,10,11)/b8-5+,9-6+
InChIKeyOATWRGJMFAWBQC-XVYDYJIPSA-N
XLogP0.89
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 ≤ 50.89
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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Related Compounds

N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
(2E)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-hydroxyiminoacetamide
CID 89186759
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
N-(3-methyliminoprop-1-en-2-yl)prop-2-enamide
CID 90098249
(5E)-6-methylidene-5-prop-2-enylidenepyrazin-2-one
CID 117932079
(6E)-5-methylidene-6-prop-2-enylidenepyrazin-2-one
CID 117932083
N-(2H-azepin-6-yl)acetamide
CID 123439367
6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
CID 134292775
N-[(1E)-1-(prop-2-enylideneamino)buta-1,3-dien-2-yl]acetamide
CID 137490218
N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]acetamide
CID 137490373
N-(4-carbamoyliminobut-2-en-2-yl)prop-2-enamide
CID 141236563
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
CID 141943612

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide?
The IUPAC name of N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide (CID 23388689) is N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide.
What is the SMILES notation for N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide?
The canonical SMILES for N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide is C=C/C(=C\C=N\C)NC(C)=O.
What is the InChIKey of N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide?
The InChIKey is OATWRGJMFAWBQC-XVYDYJIPSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-8(5-6-9-3)10-7(2)11/h4-6H,1H2,2-3H3,(H,10,11)/b8-5+,9-6+.
What are the key properties of N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide?
N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide is sourced from PubChem (CID 23388689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).