N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide

C9H14N2O — CID 171845231

IUPACN-(2-prop-1-en-2-yliminobut-3-enyl)acetamide
SMILESC=C/C(CNC(C)=O)=N\C(=C)C
InChIInChI=1S/C9H14N2O/c1-5-9(11-7(2)3)6-10-8(4)12/h5H,1-2,6H2,3-4H3,(H,10,12)/b11-9+
InChIKeyXHPYMAYECGOOCW-PKNBQFBNSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds4

About N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide

N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide (PubChem CID 171845231) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(2-prop-1-en-2-yliminobut-3-enyl)acetamide
PubChem CID171845231
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(2-prop-1-en-2-yliminobut-3-enyl)acetamide
SMILESC=C/C(CNC(C)=O)=N\C(=C)C
InChIInChI=1S/C9H14N2O/c1-5-9(11-7(2)3)6-10-8(4)12/h5H,1-2,6H2,3-4H3,(H,10,12)/b11-9+
InChIKeyXHPYMAYECGOOCW-PKNBQFBNSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-prop-2-enylazete-2-carboxamide
CID 57230834
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
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-(2,3-dihydropyridin-6-ylmethyl)acetamide
CID 143023357
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
ethane;3-ethenyl-1H-pyrazin-2-one
CID 144475825
N-ethylazete-2-carboxamide
CID 154494778
(Z)-4-amino-2-ethylimino-N-methylpent-3-enamide
CID 164587902

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide?
The IUPAC name of N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide (CID 171845231) is N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide.
What is the SMILES notation for N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide?
The canonical SMILES for N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide is C=C/C(CNC(C)=O)=N\C(=C)C.
What is the InChIKey of N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide?
The InChIKey is XHPYMAYECGOOCW-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-9(11-7(2)3)6-10-8(4)12/h5H,1-2,6H2,3-4H3,(H,10,12)/b11-9+.
What are the key properties of N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide?
N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-en-2-yliminobut-3-enyl)acetamide is sourced from PubChem (CID 171845231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).