2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide

C11H20N2O2 — CID 176757536

IUPAC2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
SMILESC=C(CN1CC(O)C1)C(=O)NCC(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)4-12-11(15)9(3)5-13-6-10(14)7-13/h8,10,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyBGVAPLPBFUFZLD-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.01
Rot. Bonds5

About 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide

2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide (PubChem CID 176757536) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
PubChem CID176757536
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
SMILESC=C(CN1CC(O)C1)C(=O)NCC(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)4-12-11(15)9(3)5-13-6-10(14)7-13/h8,10,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyBGVAPLPBFUFZLD-UHFFFAOYSA-N
XLogP-0.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
Bis-quaternary methacrylamide monomer
CID 138394840
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium) dichloride
CID 13177836
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium)
CID 13177837
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-propylprop-2-enamide
CID 172623669
[3-[Dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 138394841
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 10214552
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 10214553
2,3-Dihydroxypropyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 14093558
N-[2-hydroxy-3-(3-hydroxybutylamino)propyl]-2-methylprop-2-enamide
CID 20310794
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide
CID 21391661

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide (CID 176757536) is 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide is C=C(CN1CC(O)C1)C(=O)NCC(C)C.
What is the InChIKey of 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is BGVAPLPBFUFZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)4-12-11(15)9(3)5-13-6-10(14)7-13/h8,10,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide?
2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 176757536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).