N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen

C10H18N2O — CID 178174467

IUPACN-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen
SMILESC/C=C(/C=C/NC(C)=O)\C=N\CC.[H][H]
InChIInChI=1S/C10H16N2O.H2/c1-4-10(8-11-5-2)6-7-12-9(3)13;/h4,6-8H,5H2,1-3H3,(H,12,13);1H/b7-6+,10-4-,11-8+;
InChIKeyRMVKHVKOLIJRHJ-JAXOYKDPSA-N
MW182.27 g/mol
LogP1.92
Rot. Bonds4

About N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen

N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen (PubChem CID 178174467) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen
PubChem CID178174467
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen
SMILESC/C=C(/C=C/NC(C)=O)\C=N\CC.[H][H]
InChIInChI=1S/C10H16N2O.H2/c1-4-10(8-11-5-2)6-7-12-9(3)13;/h4,6-8H,5H2,1-3H3,(H,12,13);1H/b7-6+,10-4-,11-8+;
InChIKeyRMVKHVKOLIJRHJ-JAXOYKDPSA-N
XLogP1.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.92
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

N-[(Z)-prop-1-enyl]acetamide
CID 5325885
(E)-3-acetamido-N,N-dimethylprop-2-enamide
CID 131238300
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide
CID 170752069
(E)-3-(ethyliminomethyl)-4-hydroxypent-3-en-2-one
CID 146028410
ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine
CID 144831826
3-(ethyliminomethyl)but-3-enoic acid
CID 154029010
N-[(Z)-2-chloroethenyl]acetamide
CID 55298580
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]acetamide
CID 143215633
N-[(E)-3-oxoprop-1-enyl]acetamide
CID 12509734
silver (E)-2-acetamidoethenethiolate
CID 12620554
N-[(E)-dec-1-enyl]acetamide
CID 87894534
(E)-2-(ethyliminomethyl)-N-pent-2-ynylbut-2-enamide
CID 171837514

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen?
The IUPAC name of N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen (CID 178174467) is N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen is C/C=C(/C=C/NC(C)=O)\C=N\CC.[H][H].
What is the InChIKey of N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen?
The InChIKey is RMVKHVKOLIJRHJ-JAXOYKDPSA-N. The full InChI is InChI=1S/C10H16N2O.H2/c1-4-10(8-11-5-2)6-7-12-9(3)13;/h4,6-8H,5H2,1-3H3,(H,12,13);1H/b7-6+,10-4-,11-8+;.
What are the key properties of N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen?
N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen has a molecular weight of 182.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen is sourced from PubChem (CID 178174467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).