ethane;N-(2-ethenyliminobut-3-enyl)acetamide

C10H18N2O — CID 177244131

IUPACethane;N-(2-ethenyliminobut-3-enyl)acetamide
SMILESC=C/N=C(\C=C)CNC(C)=O.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-4-8(9-5-2)6-10-7(3)11;1-2/h4-5H,1-2,6H2,3H3,(H,10,11);1-2H3/b9-8+;
InChIKeyGPTQCQXQDVUHJL-HRNDJLQDSA-N
MW182.27 g/mol
LogP1.92
Rot. Bonds4

About ethane;N-(2-ethenyliminobut-3-enyl)acetamide

ethane;N-(2-ethenyliminobut-3-enyl)acetamide (PubChem CID 177244131) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;N-(2-ethenyliminobut-3-enyl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-ethenyliminobut-3-enyl)acetamide
PubChem CID177244131
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;N-(2-ethenyliminobut-3-enyl)acetamide
SMILESC=C/N=C(\C=C)CNC(C)=O.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-4-8(9-5-2)6-10-7(3)11;1-2/h4-5H,1-2,6H2,3H3,(H,10,11);1-2H3/b9-8+;
InChIKeyGPTQCQXQDVUHJL-HRNDJLQDSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.92
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-methylazete-2-carboxamide
CID 23164916
N-prop-2-enylazete-2-carboxamide
CID 57230834
N,8-diethyl-1,4-diazocine-5-carboxamide
CID 77953105
2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
CID 123143185
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
3-methylimino-1H-pyrrol-2-one
CID 141197218
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
ethane;N-[(Z)-4-(ethylideneamino)but-3-enyl]acetamide
CID 143723815
N-(azetidin-3-yl)-2-[(Z)-prop-1-enyl]iminobut-3-enamide
CID 144471002

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenyliminobut-3-enyl)acetamide?
The IUPAC name of ethane;N-(2-ethenyliminobut-3-enyl)acetamide (CID 177244131) is ethane;N-(2-ethenyliminobut-3-enyl)acetamide.
What is the SMILES notation for ethane;N-(2-ethenyliminobut-3-enyl)acetamide?
The canonical SMILES for ethane;N-(2-ethenyliminobut-3-enyl)acetamide is C=C/N=C(\C=C)CNC(C)=O.CC.
What is the InChIKey of ethane;N-(2-ethenyliminobut-3-enyl)acetamide?
The InChIKey is GPTQCQXQDVUHJL-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-4-8(9-5-2)6-10-7(3)11;1-2/h4-5H,1-2,6H2,3H3,(H,10,11);1-2H3/b9-8+;.
What are the key properties of ethane;N-(2-ethenyliminobut-3-enyl)acetamide?
ethane;N-(2-ethenyliminobut-3-enyl)acetamide has a molecular weight of 182.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenyliminobut-3-enyl)acetamide is sourced from PubChem (CID 177244131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).