methyl N-(2-but-3-enoxyethyl)carbamate

C8H15NO3 — CID 14496159

IUPACmethyl N-(2-but-3-enoxyethyl)carbamate
SMILESC=CCCOCCNC(=O)OC
InChIInChI=1S/C8H15NO3/c1-3-4-6-12-7-5-9-8(10)11-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyUTBUUHZLUIHHMJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.94
Rot. Bonds6

About methyl N-(2-but-3-enoxyethyl)carbamate

methyl N-(2-but-3-enoxyethyl)carbamate (PubChem CID 14496159) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-(2-but-3-enoxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-but-3-enoxyethyl)carbamate
PubChem CID14496159
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-(2-but-3-enoxyethyl)carbamate
SMILESC=CCCOCCNC(=O)OC
InChIInChI=1S/C8H15NO3/c1-3-4-6-12-7-5-9-8(10)11-2/h3H,1,4-7H2,2H3,(H,9,10)
InChIKeyUTBUUHZLUIHHMJ-UHFFFAOYSA-N
XLogP0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-but-3-enoxyethyl)carbamate?
The IUPAC name of methyl N-(2-but-3-enoxyethyl)carbamate (CID 14496159) is methyl N-(2-but-3-enoxyethyl)carbamate.
What is the SMILES notation for methyl N-(2-but-3-enoxyethyl)carbamate?
The canonical SMILES for methyl N-(2-but-3-enoxyethyl)carbamate is C=CCCOCCNC(=O)OC.
What is the InChIKey of methyl N-(2-but-3-enoxyethyl)carbamate?
The InChIKey is UTBUUHZLUIHHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-6-12-7-5-9-8(10)11-2/h3H,1,4-7H2,2H3,(H,9,10).
What are the key properties of methyl N-(2-but-3-enoxyethyl)carbamate?
methyl N-(2-but-3-enoxyethyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-but-3-enoxyethyl)carbamate is sourced from PubChem (CID 14496159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).