3-methylbut-2-enyl N-phenylcarbamate

C12H15NO2 — CID 824835

IUPAC3-methylbut-2-enyl N-phenylcarbamate
SMILESCC(C)=CCOC(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,13,14)
InChIKeyNTMVLXFTQLVNAQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.20
Rot. Bonds3

About 3-methylbut-2-enyl N-phenylcarbamate

3-methylbut-2-enyl N-phenylcarbamate (PubChem CID 824835) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methylbut-2-enyl N-phenylcarbamate.

Molecular Properties

Compound Name3-methylbut-2-enyl N-phenylcarbamate
PubChem CID824835
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-methylbut-2-enyl N-phenylcarbamate
SMILESCC(C)=CCOC(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,13,14)
InChIKeyNTMVLXFTQLVNAQ-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] N-phenylcarbamate
CID 14889933
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide
CID 171059096
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
3-methylbutyl N-phenylcarbamate
CID 69480810
2-ethoxyethyl N-phenylcarbamate
CID 4101389
dodecyl N-phenylcarbamate
CID 521818
2-(methoxycarbonylamino)butyl N-phenylcarbamate
CID 3136023
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl N-phenylcarbamate?
The IUPAC name of 3-methylbut-2-enyl N-phenylcarbamate (CID 824835) is 3-methylbut-2-enyl N-phenylcarbamate.
What is the SMILES notation for 3-methylbut-2-enyl N-phenylcarbamate?
The canonical SMILES for 3-methylbut-2-enyl N-phenylcarbamate is CC(C)=CCOC(=O)Nc1ccccc1.
What is the InChIKey of 3-methylbut-2-enyl N-phenylcarbamate?
The InChIKey is NTMVLXFTQLVNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,13,14).
What are the key properties of 3-methylbut-2-enyl N-phenylcarbamate?
3-methylbut-2-enyl N-phenylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl N-phenylcarbamate is sourced from PubChem (CID 824835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).