N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide

C9H16N2O — CID 143514853

IUPACN-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
SMILESCC/C(=C\C=N\C)CNC(C)=O
InChIInChI=1S/C9H16N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h5-6H,4,7H2,1-3H3,(H,11,12)/b9-5+,10-6+
InChIKeyHGDGKVOYKAFZSI-NXZHAISVSA-N
MW168.24 g/mol
LogP1.16
Rot. Bonds4

About N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide

N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide (PubChem CID 143514853) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
PubChem CID143514853
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
SMILESCC/C(=C\C=N\C)CNC(C)=O
InChIInChI=1S/C9H16N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h5-6H,4,7H2,1-3H3,(H,11,12)/b9-5+,10-6+
InChIKeyHGDGKVOYKAFZSI-NXZHAISVSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.16
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

5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
CID 70794845
N-ethyl-2,5-dihydropyridine-5-carboxamide
CID 91444132
N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
(E)-4-butan-2-ylimino-2-methyl-N-[(E)-pent-2-enyl]but-2-enamide
CID 124182009
N-(2,3-dihydropyridin-4-ylmethyl)acetamide
CID 138478321
N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide
CID 139505612
N-[(E)-2-ethenyl-4-iminobut-2-enyl]-2-methylpropanamide
CID 139505979
N-(4-methyl-2,3-dihydropyridin-2-yl)acetamide
CID 143482563
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
CID 144603700
4-amino-N-[(Z)-3-[(Z)-3-iminoprop-1-enyl]hex-3-enyl]butanamide
CID 144920923
(Z)-4-imino-N-methylpent-2-en-1-amine;N-(2-methylpropyl)acetamide;molecular hydrogen
CID 145282388
ethane;N-[(E)-2-ethenyl-4-iminobut-2-enyl]acetamide
CID 145341932

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide?
The IUPAC name of N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide (CID 143514853) is N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide?
The canonical SMILES for N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide is CC/C(=C\C=N\C)CNC(C)=O.
What is the InChIKey of N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide?
The InChIKey is HGDGKVOYKAFZSI-NXZHAISVSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h5-6H,4,7H2,1-3H3,(H,11,12)/b9-5+,10-6+.
What are the key properties of N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide?
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide is sourced from PubChem (CID 143514853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).