N-[3-(ethenyliminomethyl)but-3-enyl]acetamide

C9H14N2O — CID 142506759

IUPACN-[3-(ethenyliminomethyl)but-3-enyl]acetamide
SMILESC=C/N=C/C(=C)CCNC(C)=O
InChIInChI=1S/C9H14N2O/c1-4-10-7-8(2)5-6-11-9(3)12/h4,7H,1-2,5-6H2,3H3,(H,11,12)/b10-7+
InChIKeyOWAOXTKIDRMKRM-JXMROGBWSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds5

About N-[3-(ethenyliminomethyl)but-3-enyl]acetamide

N-[3-(ethenyliminomethyl)but-3-enyl]acetamide (PubChem CID 142506759) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[3-(ethenyliminomethyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(ethenyliminomethyl)but-3-enyl]acetamide
PubChem CID142506759
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[3-(ethenyliminomethyl)but-3-enyl]acetamide
SMILESC=C/N=C/C(=C)CCNC(C)=O
InChIInChI=1S/C9H14N2O/c1-4-10-7-8(2)5-6-11-9(3)12/h4,7H,1-2,5-6H2,3H3,(H,11,12)/b10-7+
InChIKeyOWAOXTKIDRMKRM-JXMROGBWSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
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-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
CID 129258522
2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
CID 129258525
N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide
CID 129301502
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529169
N-[(3Z)-3-[(methylideneamino)methylidene]pent-4-enyl]acetamide
CID 143571918
ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
CID 143723815
N,2-dimethylprop-2-en-1-imine;ethane;N-ethenylacetamide
CID 144086800
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
CID 144603700
N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
CID 144946520

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethenyliminomethyl)but-3-enyl]acetamide?
The IUPAC name of N-[3-(ethenyliminomethyl)but-3-enyl]acetamide (CID 142506759) is N-[3-(ethenyliminomethyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[3-(ethenyliminomethyl)but-3-enyl]acetamide?
The canonical SMILES for N-[3-(ethenyliminomethyl)but-3-enyl]acetamide is C=C/N=C/C(=C)CCNC(C)=O.
What is the InChIKey of N-[3-(ethenyliminomethyl)but-3-enyl]acetamide?
The InChIKey is OWAOXTKIDRMKRM-JXMROGBWSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-10-7-8(2)5-6-11-9(3)12/h4,7H,1-2,5-6H2,3H3,(H,11,12)/b10-7+.
What are the key properties of N-[3-(ethenyliminomethyl)but-3-enyl]acetamide?
N-[3-(ethenyliminomethyl)but-3-enyl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethenyliminomethyl)but-3-enyl]acetamide is sourced from PubChem (CID 142506759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).