1-methoxyethyl N-but-1-en-2-ylcarbamate

C8H15NO3 — CID 130331171

IUPAC1-methoxyethyl N-but-1-en-2-ylcarbamate
SMILESC=C(CC)NC(=O)OC(C)OC
InChIInChI=1S/C8H15NO3/c1-5-6(2)9-8(10)12-7(3)11-4/h7H,2,5H2,1,3-4H3,(H,9,10)
InChIKeyWUDUDSHIJNQUKH-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.63
Rot. Bonds4

About 1-methoxyethyl N-but-1-en-2-ylcarbamate

1-methoxyethyl N-but-1-en-2-ylcarbamate (PubChem CID 130331171) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-methoxyethyl N-but-1-en-2-ylcarbamate.

Molecular Properties

Compound Name1-methoxyethyl N-but-1-en-2-ylcarbamate
PubChem CID130331171
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-methoxyethyl N-but-1-en-2-ylcarbamate
SMILESC=C(CC)NC(=O)OC(C)OC
InChIInChI=1S/C8H15NO3/c1-5-6(2)9-8(10)12-7(3)11-4/h7H,2,5H2,1,3-4H3,(H,9,10)
InChIKeyWUDUDSHIJNQUKH-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxyethyl N-but-1-en-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
CID 18965589
1-(1-methoxyethoxy)ethenylsilane
CID 175158252
N-but-1-en-2-ylbutanamide
CID 159787043
1-methoxypropan-2-yloxycarbonylcarbamic acid
CID 59787138
(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
1,1-dimethoxy-4-methylidenehexan-2-one
CID 79492297
1-methoxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263817
1-methoxyethyl hexadecanoate
CID 20514386
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
3-propanoyloxybutan-2-yl propanoate
CID 14494224
1-N'-but-1-en-2-ylethene-1,1-diamine
CID 166131853
1,1-dimethoxyethane;2-methylprop-2-enamide
CID 158750658

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl N-but-1-en-2-ylcarbamate?
The IUPAC name of 1-methoxyethyl N-but-1-en-2-ylcarbamate (CID 130331171) is 1-methoxyethyl N-but-1-en-2-ylcarbamate.
What is the SMILES notation for 1-methoxyethyl N-but-1-en-2-ylcarbamate?
The canonical SMILES for 1-methoxyethyl N-but-1-en-2-ylcarbamate is C=C(CC)NC(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl N-but-1-en-2-ylcarbamate?
The InChIKey is WUDUDSHIJNQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-6(2)9-8(10)12-7(3)11-4/h7H,2,5H2,1,3-4H3,(H,9,10).
What are the key properties of 1-methoxyethyl N-but-1-en-2-ylcarbamate?
1-methoxyethyl N-but-1-en-2-ylcarbamate has a molecular weight of 173.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl N-but-1-en-2-ylcarbamate is sourced from PubChem (CID 130331171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).