N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide

C9H16N2O — CID 143108257

IUPACN-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide
SMILESC/C=C(\C=C/NC)CNC(C)=O
InChIInChI=1S/C9H16N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h4-6,10H,7H2,1-3H3,(H,11,12)/b6-5-,9-4+
InChIKeyDZUVETZAGSWDGN-CXBDEZGUSA-N
MW168.24 g/mol
LogP0.80
Rot. Bonds4

About N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide

N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide (PubChem CID 143108257) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide
PubChem CID143108257
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide
SMILESC/C=C(\C=C/NC)CNC(C)=O
InChIInChI=1S/C9H16N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h4-6,10H,7H2,1-3H3,(H,11,12)/b6-5-,9-4+
InChIKeyDZUVETZAGSWDGN-CXBDEZGUSA-N
XLogP0.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
CID 143680491
(2E)-6-methyl-N-(2-methylpropyl)octa-2,4,5-trienamide
CID 134976486
4-[(Dimethylamino)methyl]pyridin-2(1H)-one
CID 13463821
N-ethyl-2-oxo-1H-pyridine-4-carboxamide
CID 20785125
Methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium
CID 21030020
4-(Aminomethyl)-1-ethyl-1,2-dihydropyridin-2-one
CID 23569308
N-(4-ethylhepta-2,4-dienyl)acetamide
CID 53839990
2-oxo-N-propyl-1H-pyridine-4-carboxamide
CID 53845818
N-(4-methylhepta-2,4-dienyl)acetamide
CID 54048389
1-Acetylamino-4-ethyl-2,4-hexadiene
CID 54529329
2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide
CID 57249346
N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide
CID 57312750

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide?
The IUPAC name of N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide (CID 143108257) is N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide?
The canonical SMILES for N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide is C/C=C(\C=C/NC)CNC(C)=O.
What is the InChIKey of N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide?
The InChIKey is DZUVETZAGSWDGN-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h4-6,10H,7H2,1-3H3,(H,11,12)/b6-5-,9-4+.
What are the key properties of N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide?
N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(Z)-2-(methylamino)ethenyl]but-2-enyl]acetamide is sourced from PubChem (CID 143108257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).