N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen

C11H20N2O — CID 157037980

IUPACN-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen
SMILESC=C/C(CNC(=O)CC)=C(C)\C=N\C.[H][H]
InChIInChI=1S/C11H18N2O.H2/c1-5-10(9(3)7-12-4)8-13-11(14)6-2;/h5,7H,1,6,8H2,2-4H3,(H,13,14);1H/b10-9+,12-7+;
InChIKeyFSBVHKLEBCFUPM-RVWBRHCMSA-N
MW196.29 g/mol
LogP1.96
Rot. Bonds5

About N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen

N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen (PubChem CID 157037980) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen
PubChem CID157037980
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen
SMILESC=C/C(CNC(=O)CC)=C(C)\C=N\C.[H][H]
InChIInChI=1S/C11H18N2O.H2/c1-5-10(9(3)7-12-4)8-13-11(14)6-2;/h5,7H,1,6,8H2,2-4H3,(H,13,14);1H/b10-9+,12-7+;
InChIKeyFSBVHKLEBCFUPM-RVWBRHCMSA-N
XLogP1.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
CID 118287089
N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide
CID 139505612
N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
CID 139505979
ethane;(2E,4E)-N-methyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 144127180
Ethane;4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
CID 144576254
ethane;N-[(E)-2-ethenyl-4-iminobut-2-enyl]acetamide
CID 145341932
(3Z)-2,4,6-trimethyl-N-[(Z)-5-methyliminopent-3-enyl]hepta-3,5-dienamide
CID 145560749
ethane;3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
CID 153329866
ethane;N-[(E)-2-ethenyl-4-iminobut-2-enyl]acetamide
CID 153344148
ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane
CID 153344253

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen?
The IUPAC name of N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen (CID 157037980) is N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen?
The canonical SMILES for N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen is C=C/C(CNC(=O)CC)=C(C)\C=N\C.[H][H].
What is the InChIKey of N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen?
The InChIKey is FSBVHKLEBCFUPM-RVWBRHCMSA-N. The full InChI is InChI=1S/C11H18N2O.H2/c1-5-10(9(3)7-12-4)8-13-11(14)6-2;/h5,7H,1,6,8H2,2-4H3,(H,13,14);1H/b10-9+,12-7+;.
What are the key properties of N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen?
N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen has a molecular weight of 196.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen is sourced from PubChem (CID 157037980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).