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

C10H14N2O — CID 178010299

IUPACN-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NC/C=C/C
InChIInChI=1S/C10H14N2O/c1-4-7-8-12-10(13)9(5-2)11-6-3/h4-7H,2-3,8H2,1H3,(H,12,13)/b7-4+,11-9+
InChIKeyKCNGTKXPWNXZFD-WUZDHUPESA-N
MW178.23 g/mol
LogP1.45
Rot. Bonds5

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

N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide (PubChem CID 178010299) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide
PubChem CID178010299
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NC/C=C/C
InChIInChI=1S/C10H14N2O/c1-4-7-8-12-10(13)9(5-2)11-6-3/h4-7H,2-3,8H2,1H3,(H,12,13)/b7-4+,11-9+
InChIKeyKCNGTKXPWNXZFD-WUZDHUPESA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.45
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

N-prop-2-enylazete-2-carboxamide
CID 57230834
N-propan-2-yl-3H-pyrrole-2-carboxamide
CID 58190011
N,8-diethyl-1,4-diazocine-5-carboxamide
CID 77953105
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
(3Z)-2-ethenylimino-N-methylhexa-3,5-dienamide
CID 134297156
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
(2Z,6Z)-N-methyl-4,5-dihydroazocine-8-carboxamide
CID 141887723
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
N-(azetidin-3-yl)-2-[(Z)-prop-1-enyl]iminobut-3-enamide
CID 144471002

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide (CID 178010299) is N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide is C=C/N=C(\C=C)C(=O)NC/C=C/C.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide?
The InChIKey is KCNGTKXPWNXZFD-WUZDHUPESA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-7-8-12-10(13)9(5-2)11-6-3/h4-7H,2-3,8H2,1H3,(H,12,13)/b7-4+,11-9+.
What are the key properties of N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide?
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide has a molecular weight of 178.23 g/mol, XLogP of 1.45, 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 is sourced from PubChem (CID 178010299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).