1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate

C8H13NO4 — CID 18965589

IUPAC1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OC(C)OC
InChIInChI=1S/C8H13NO4/c1-5(2)7(10)9-8(11)13-6(3)12-4/h6H,1H2,2-4H3,(H,9,10,11)
InChIKeyQODRXQWNAZKLKJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.81
Rot. Bonds3

About 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate

1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate (PubChem CID 18965589) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate.

Molecular Properties

Compound Name1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
PubChem CID18965589
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OC(C)OC
InChIInChI=1S/C8H13NO4/c1-5(2)7(10)9-8(11)13-6(3)12-4/h6H,1H2,2-4H3,(H,9,10,11)
InChIKeyQODRXQWNAZKLKJ-UHFFFAOYSA-N
XLogP0.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methoxyethyl N-but-1-en-2-ylcarbamate
CID 130331171
octan-2-yl N-(2-methylprop-2-enoyl)carbamate
CID 11075602
1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate
CID 139790996
1,1-dimethoxyethane;2-methylprop-2-enamide
CID 158750658
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
CID 20633703
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoylcarbamoyloxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl N-(2-methylprop-2-enoyl)carbamate
CID 118477482
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
1-(1-methoxyethoxy)ethenylsilane
CID 175158252

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate?
The IUPAC name of 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate (CID 18965589) is 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate.
What is the SMILES notation for 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate?
The canonical SMILES for 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate is C=C(C)C(=O)NC(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate?
The InChIKey is QODRXQWNAZKLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(2)7(10)9-8(11)13-6(3)12-4/h6H,1H2,2-4H3,(H,9,10,11).
What are the key properties of 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate?
1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate has a molecular weight of 187.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate is sourced from PubChem (CID 18965589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).