N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide

C11H19NO2 — CID 114750967

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1(CCO)CC1
InChIInChI=1S/C11H19NO2/c1-9(2)7-10(14)12-8-11(3-4-11)5-6-13/h7,13H,3-6,8H2,1-2H3,(H,12,14)
InChIKeyCLVGBXMFNKYHGI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide (PubChem CID 114750967) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide
PubChem CID114750967
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1(CCO)CC1
InChIInChI=1S/C11H19NO2/c1-9(2)7-10(14)12-8-11(3-4-11)5-6-13/h7,13H,3-6,8H2,1-2H3,(H,12,14)
InChIKeyCLVGBXMFNKYHGI-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-3-methylbut-2-enamide
CID 66109070
N-(2-ethyl-4-hydroxybutyl)but-2-enamide
CID 80289545
N-(5-hydroxypentan-2-yl)-3-methylbut-2-enamide
CID 80292110
N-(2-ethyl-4-hydroxybutyl)hexa-2,4-dienamide
CID 80308852
N-(2-ethyl-4-hydroxybutyl)-3-methylbut-2-enamide
CID 80308947
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylbut-2-enamide
CID 80708391
N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide
CID 103772022
N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide
CID 103772974
(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide
CID 103800053
(E)-N-(4-hydroxy-2,2-dimethylbutyl)but-2-enamide
CID 103824960
N-(4-hydroxy-2,2-dimethylbutyl)hexa-2,4-dienamide
CID 103825255
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]but-2-enamide
CID 103843259

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide (CID 114750967) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCC1(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide?
The InChIKey is CLVGBXMFNKYHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)7-10(14)12-8-11(3-4-11)5-6-13/h7,13H,3-6,8H2,1-2H3,(H,12,14).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 114750967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).