N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane

C12H20N2O — CID 178010298

IUPACN-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
SMILESC=C/N=C(\C=C)C(=O)NC/C=C/C.CC
InChIInChI=1S/C10H14N2O.C2H6/c1-4-7-8-12-10(13)9(5-2)11-6-3;1-2/h4-7H,2-3,8H2,1H3,(H,12,13);1-2H3/b7-4+,11-9+;
InChIKeyVQWUELUWEDBVBN-KFVPDTDOSA-N
MW208.30 g/mol
LogP2.48
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane

N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane (PubChem CID 178010298) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
PubChem CID178010298
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
SMILESC=C/N=C(\C=C)C(=O)NC/C=C/C.CC
InChIInChI=1S/C10H14N2O.C2H6/c1-4-7-8-12-10(13)9(5-2)11-6-3;1-2/h4-7H,2-3,8H2,1H3,(H,12,13);1-2H3/b7-4+,11-9+;
InChIKeyVQWUELUWEDBVBN-KFVPDTDOSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-hepta-1,5-dien-3-one
CID 13310111
(E)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 148701654
N-prop-2-enylbut-2-en-1-amine;sulfuric acid
CID 175332319
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane
CID 178009984
3-ethenylimino-1-ethoxypent-4-en-2-one
CID 156744879
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
CID 178010353
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane
CID 178010245
N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane (CID 178010298) is N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane is C=C/N=C(\C=C)C(=O)NC/C=C/C.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane?
The InChIKey is VQWUELUWEDBVBN-KFVPDTDOSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-4-7-8-12-10(13)9(5-2)11-6-3;1-2/h4-7H,2-3,8H2,1H3,(H,12,13);1-2H3/b7-4+,11-9+;.
What are the key properties of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane?
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane has a molecular weight of 208.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane is sourced from PubChem (CID 178010298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).