(E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide

C10H18N2O2 — CID 122511806

IUPAC(E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide
SMILESCNC(=O)/C=C/C(C)(C)N1CC(O)C1
InChIInChI=1S/C10H18N2O2/c1-10(2,5-4-9(14)11-3)12-6-8(13)7-12/h4-5,8,13H,6-7H2,1-3H3,(H,11,14)/b5-4+
InChIKeyKMIMJAUOMHQUMA-SNAWJCMRSA-N
MW198.27 g/mol
LogP-0.26
Rot. Bonds3

About (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide

(E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide (PubChem CID 122511806) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide
PubChem CID122511806
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide
SMILESCNC(=O)/C=C/C(C)(C)N1CC(O)C1
InChIInChI=1S/C10H18N2O2/c1-10(2,5-4-9(14)11-3)12-6-8(13)7-12/h4-5,8,13H,6-7H2,1-3H3,(H,11,14)/b5-4+
InChIKeyKMIMJAUOMHQUMA-SNAWJCMRSA-N
XLogP-0.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide
CID 122511765
N,N'-dimethylbut-2-enediamide
CID 54344026
(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
CID 102438921
N-methyl-3-sulfanylprop-2-enamide;silver
CID 173393261
(E)-4-[3-(fluoromethyl)azetidin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 166965581
1-(4-amino-2-methylbutan-2-yl)azetidin-3-ol
CID 83815614
prop-2-enyl (2S,4S)-2-[3-(methylamino)-3-oxoprop-1-enyl]-4-sulfanylpyrrolidine-1-carboxylate
CID 57100421
4-(methylamino)-4-oxobut-2-enoyl chloride
CID 91428826
4-(methylamino)-4-oxobut-2-enoate
CID 6992861
3-(3-hydroxyazetidin-1-yl)-N-methylpropanamide
CID 63282149
methanol;bis(N-methylprop-2-enamide)
CID 175170531
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide?
The IUPAC name of (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide (CID 122511806) is (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide is CNC(=O)/C=C/C(C)(C)N1CC(O)C1.
What is the InChIKey of (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide?
The InChIKey is KMIMJAUOMHQUMA-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,5-4-9(14)11-3)12-6-8(13)7-12/h4-5,8,13H,6-7H2,1-3H3,(H,11,14)/b5-4+.
What are the key properties of (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide?
(E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide has a molecular weight of 198.27 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-hydroxyazetidin-1-yl)-N,4-dimethylpent-2-enamide is sourced from PubChem (CID 122511806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).