propan-2-yl N-(2-but-3-enoxyethyl)carbamate

C10H19NO3 — CID 106395864

IUPACpropan-2-yl N-(2-but-3-enoxyethyl)carbamate
SMILESC=CCCOCCNC(=O)OC(C)C
InChIInChI=1S/C10H19NO3/c1-4-5-7-13-8-6-11-10(12)14-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyILMXADWQDCWXLD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.71
Rot. Bonds7

About propan-2-yl N-(2-but-3-enoxyethyl)carbamate

propan-2-yl N-(2-but-3-enoxyethyl)carbamate (PubChem CID 106395864) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propan-2-yl N-(2-but-3-enoxyethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-but-3-enoxyethyl)carbamate
PubChem CID106395864
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropan-2-yl N-(2-but-3-enoxyethyl)carbamate
SMILESC=CCCOCCNC(=O)OC(C)C
InChIInChI=1S/C10H19NO3/c1-4-5-7-13-8-6-11-10(12)14-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyILMXADWQDCWXLD-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.71
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 propan-2-yl N-(2-but-3-enoxyethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-but-3-enoxyethyl)carbamate (CID 106395864) is propan-2-yl N-(2-but-3-enoxyethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-but-3-enoxyethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-but-3-enoxyethyl)carbamate is C=CCCOCCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(2-but-3-enoxyethyl)carbamate?
The InChIKey is ILMXADWQDCWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-7-13-8-6-11-10(12)14-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of propan-2-yl N-(2-but-3-enoxyethyl)carbamate?
propan-2-yl N-(2-but-3-enoxyethyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-but-3-enoxyethyl)carbamate is sourced from PubChem (CID 106395864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).