N-ethyl-4-(prop-2-enylideneamino)but-3-enamide

C9H14N2O — CID 123947374

IUPACN-ethyl-4-(prop-2-enylideneamino)but-3-enamide
SMILESC=C/C=N/C=CCC(=O)NCC
InChIInChI=1S/C9H14N2O/c1-3-7-10-8-5-6-9(12)11-4-2/h3,5,7-8H,1,4,6H2,2H3,(H,11,12)/b8-5?,10-7+
InChIKeyBUEQLJWHROBOMY-NOFHWXGASA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds5

About N-ethyl-4-(prop-2-enylideneamino)but-3-enamide

N-ethyl-4-(prop-2-enylideneamino)but-3-enamide (PubChem CID 123947374) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethyl-4-(prop-2-enylideneamino)but-3-enamide.

Molecular Properties

Compound NameN-ethyl-4-(prop-2-enylideneamino)but-3-enamide
PubChem CID123947374
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethyl-4-(prop-2-enylideneamino)but-3-enamide
SMILESC=C/C=N/C=CCC(=O)NCC
InChIInChI=1S/C9H14N2O/c1-3-7-10-8-5-6-9(12)11-4-2/h3,5,7-8H,1,4,6H2,2H3,(H,11,12)/b8-5?,10-7+
InChIKeyBUEQLJWHROBOMY-NOFHWXGASA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
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

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N,N'-diethylpropanediamide
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N-ethyl-4-oxohex-5-enamide
CID 147279818
N,N'-diethylnonanediamide
CID 89048639
(Z)-N-[[[(Z)-hex-3-enoyl]amino]methyl]hex-3-enamide
CID 59593581
2-[[ethenyl(dihydroxy)-λ4-sulfanyl]amino]-N-ethylacetamide
CID 169217589
N-ethyl-5-oxopentanamide
CID 54062498
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
CID 144618741
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
CID 175477494
CID 175477494
CID 59970835
CID 59970835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(prop-2-enylideneamino)but-3-enamide?
The IUPAC name of N-ethyl-4-(prop-2-enylideneamino)but-3-enamide (CID 123947374) is N-ethyl-4-(prop-2-enylideneamino)but-3-enamide.
What is the SMILES notation for N-ethyl-4-(prop-2-enylideneamino)but-3-enamide?
The canonical SMILES for N-ethyl-4-(prop-2-enylideneamino)but-3-enamide is C=C/C=N/C=CCC(=O)NCC.
What is the InChIKey of N-ethyl-4-(prop-2-enylideneamino)but-3-enamide?
The InChIKey is BUEQLJWHROBOMY-NOFHWXGASA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-10-8-5-6-9(12)11-4-2/h3,5,7-8H,1,4,6H2,2H3,(H,11,12)/b8-5?,10-7+.
What are the key properties of N-ethyl-4-(prop-2-enylideneamino)but-3-enamide?
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(prop-2-enylideneamino)but-3-enamide is sourced from PubChem (CID 123947374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).