N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen

C10H20N2O — CID 170752207

IUPACN-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen
SMILESC/C=C(\C=N\CC)NC(=O)C(C)C.[H][H]
InChIInChI=1S/C10H18N2O.H2/c1-5-9(7-11-6-2)12-10(13)8(3)4;/h5,7-8H,6H2,1-4H3,(H,12,13);1H/b9-5+,11-7+;
InChIKeyONNMPXVMNBRZQI-JHYBDDPSSA-N
MW184.28 g/mol
LogP2.00
Rot. Bonds4

About N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen

N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 170752207) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID170752207
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen
SMILESC/C=C(\C=N\CC)NC(=O)C(C)C.[H][H]
InChIInChI=1S/C10H18N2O.H2/c1-5-9(7-11-6-2)12-10(13)8(3)4;/h5,7-8H,6H2,1-4H3,(H,12,13);1H/b9-5+,11-7+;
InChIKeyONNMPXVMNBRZQI-JHYBDDPSSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.00
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-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
CID 89156140
N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
CID 129171349
2,2-dimethyl-N-(3-methyliminoprop-1-en-2-yl)propanamide
CID 134566878
N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide
CID 138722404
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide
CID 139357874
N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
CID 143282267
ethane;N-[(E)-1-prop-2-ynyliminobut-2-en-2-yl]acetamide
CID 143328611
N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclopropanecarboxamide
CID 143916021
N-[(E)-4-ethenyliminobut-2-en-2-yl]butanamide
CID 146430026
N-(3-iminoprop-1-en-2-yl)-2,2-dimethylpropanamide
CID 147769981
ethane;N-[(E)-1-methyliminobut-2-en-2-yl]acetamide
CID 170568844
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide;molecular hydrogen
CID 170752068

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen (CID 170752207) is N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen is C/C=C(\C=N\CC)NC(=O)C(C)C.[H][H].
What is the InChIKey of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is ONNMPXVMNBRZQI-JHYBDDPSSA-N. The full InChI is InChI=1S/C10H18N2O.H2/c1-5-9(7-11-6-2)12-10(13)8(3)4;/h5,7-8H,6H2,1-4H3,(H,12,13);1H/b9-5+,11-7+;.
What are the key properties of N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen?
N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 184.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-ethyliminobut-2-en-2-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 170752207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).