(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide

C10H18N2O2 — CID 142364005

IUPAC(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide
SMILESC=C(/C(=C\C)C(N)=O)N(C)CCCO
InChIInChI=1S/C10H18N2O2/c1-4-9(10(11)14)8(2)12(3)6-5-7-13/h4,13H,2,5-7H2,1,3H3,(H2,11,14)/b9-4+
InChIKeyQEAVHVAUPUKPRE-RUDMXATFSA-N
MW198.27 g/mol
LogP0.25
Rot. Bonds6

About (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide

(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide (PubChem CID 142364005) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide
PubChem CID142364005
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide
SMILESC=C(/C(=C\C)C(N)=O)N(C)CCCO
InChIInChI=1S/C10H18N2O2/c1-4-9(10(11)14)8(2)12(3)6-5-7-13/h4,13H,2,5-7H2,1,3H3,(H2,11,14)/b9-4+
InChIKeyQEAVHVAUPUKPRE-RUDMXATFSA-N
XLogP0.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
CID 107202841
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine
CID 174245993
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
CID 107199534
2,2,3,3,4,4-hexafluoro-5-[3-hydroxypropyl(methyl)amino]-5-oxopentanoic acid
CID 146757372
(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide
CID 163742888
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231

Frequently Asked Questions

What is the IUPAC name of (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide?
The IUPAC name of (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide (CID 142364005) is (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide.
What is the SMILES notation for (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide?
The canonical SMILES for (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide is C=C(/C(=C\C)C(N)=O)N(C)CCCO.
What is the InChIKey of (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide?
The InChIKey is QEAVHVAUPUKPRE-RUDMXATFSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(10(11)14)8(2)12(3)6-5-7-13/h4,13H,2,5-7H2,1,3H3,(H2,11,14)/b9-4+.
What are the key properties of (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide?
(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide is sourced from PubChem (CID 142364005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).