[1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate

C12H18N2O3 — CID 91725185

IUPAC[1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1nccn1CCCOC
InChIInChI=1S/C12H18N2O3/c1-10(2)12(15)17-9-11-13-5-7-14(11)6-4-8-16-3/h5,7H,1,4,6,8-9H2,2-3H3
InChIKeyLCRSKVCGWFFVDW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.54
Rot. Bonds7

About [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate

[1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 91725185) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate
PubChem CID91725185
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1nccn1CCCOC
InChIInChI=1S/C12H18N2O3/c1-10(2)12(15)17-9-11-13-5-7-14(11)6-4-8-16-3/h5,7H,1,4,6,8-9H2,2-3H3
InChIKeyLCRSKVCGWFFVDW-UHFFFAOYSA-N
XLogP1.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 113427307
(2-propan-2-ylimidazol-1-yl)methyl 2-methylprop-2-enoate
CID 139855142
2-(4-methoxybutoxymethyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]imidazole
CID 59202749
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
3-(2-ethylimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62566094
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate (CID 91725185) is [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1nccn1CCCOC.
What is the InChIKey of [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is LCRSKVCGWFFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-10(2)12(15)17-9-11-13-5-7-14(11)6-4-8-16-3/h5,7H,1,4,6,8-9H2,2-3H3.
What are the key properties of [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate?
[1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 238.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropyl)imidazol-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 91725185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).