acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine

C9H16N2O — CID 144519306

IUPACacetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\C=N\C=C/C.CC(N)=O
InChIInChI=1S/C7H11N.C2H5NO/c1-3-5-7-8-6-4-2;1-2(3)4/h3-7H,1-2H3;1H3,(H2,3,4)/b5-3-,6-4-,8-7+;
InChIKeyFUQNWQAYDUXUOF-IYJPSQMASA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds2

About acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine

acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (PubChem CID 144519306) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Nameacetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
PubChem CID144519306
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameacetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\C=N\C=C/C.CC(N)=O
InChIInChI=1S/C7H11N.C2H5NO/c1-3-5-7-8-6-4-2;1-2(3)4/h3-7H,1-2H3;1H3,(H2,3,4)/b5-3-,6-4-,8-7+;
InChIKeyFUQNWQAYDUXUOF-IYJPSQMASA-N
XLogP1.66
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-aminobut-2-enylidene]acetamide
CID 88944313
N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]acetamide
CID 137490373
acetamide;N-[(Z)-but-1-enyl]propan-1-imine
CID 144136603
acetamide;(Z)-N-methyl-1-[(Z)-prop-2-enylideneamino]prop-1-en-1-amine
CID 171563166
(Z)-4-(prop-2-enylideneamino)but-3-enamide
CID 143372775

Frequently Asked Questions

What is the IUPAC name of acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The IUPAC name of acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (CID 144519306) is acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is C/C=C\C=N\C=C/C.CC(N)=O.
What is the InChIKey of acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The InChIKey is FUQNWQAYDUXUOF-IYJPSQMASA-N. The full InChI is InChI=1S/C7H11N.C2H5NO/c1-3-5-7-8-6-4-2;1-2(3)4/h3-7H,1-2H3;1H3,(H2,3,4)/b5-3-,6-4-,8-7+;.
What are the key properties of acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine has a molecular weight of 168.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(Z)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 144519306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).