2-methylpropyl N-prop-2-enylcarbamate

C8H15NO2 — CID 637165

IUPAC2-methylpropyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-9-8(10)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyWIINCQCDOQISJI-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.55
Rot. Bonds4

About 2-methylpropyl N-prop-2-enylcarbamate

2-methylpropyl N-prop-2-enylcarbamate (PubChem CID 637165) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methylpropyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-prop-2-enylcarbamate
PubChem CID637165
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methylpropyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-9-8(10)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyWIINCQCDOQISJI-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-prop-2-enylcarbamate?
The IUPAC name of 2-methylpropyl N-prop-2-enylcarbamate (CID 637165) is 2-methylpropyl N-prop-2-enylcarbamate.
What is the SMILES notation for 2-methylpropyl N-prop-2-enylcarbamate?
The canonical SMILES for 2-methylpropyl N-prop-2-enylcarbamate is C=CCNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-prop-2-enylcarbamate?
The InChIKey is WIINCQCDOQISJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-9-8(10)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 2-methylpropyl N-prop-2-enylcarbamate?
2-methylpropyl N-prop-2-enylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-prop-2-enylcarbamate is sourced from PubChem (CID 637165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).