(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide

C11H19NO2 — CID 103800053

IUPAC(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(CCOC)CC1
InChIInChI=1S/C11H19NO2/c1-3-4-10(13)12-9-11(5-6-11)7-8-14-2/h3-4H,5-9H2,1-2H3,(H,12,13)/b4-3+
InChIKeyLHPOVEGFYMKEJT-ONEGZZNKSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds6

About (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide

(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide (PubChem CID 103800053) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide
PubChem CID103800053
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(CCOC)CC1
InChIInChI=1S/C11H19NO2/c1-3-4-10(13)12-9-11(5-6-11)7-8-14-2/h3-4H,5-9H2,1-2H3,(H,12,13)/b4-3+
InChIKeyLHPOVEGFYMKEJT-ONEGZZNKSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103800433
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994
1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide
CID 103753261
2-[1-[[[(E)-but-2-enoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163727
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272
2-(tert-butylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 113264722
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 103800058
2-(cyclopropylmethylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 114112932
4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide?
The IUPAC name of (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide (CID 103800053) is (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide?
The canonical SMILES for (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide is C/C=C/C(=O)NCC1(CCOC)CC1.
What is the InChIKey of (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide?
The InChIKey is LHPOVEGFYMKEJT-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-10(13)12-9-11(5-6-11)7-8-14-2/h3-4H,5-9H2,1-2H3,(H,12,13)/b4-3+.
What are the key properties of (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide?
(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide is sourced from PubChem (CID 103800053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).