ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate

C8H15NO2 — CID 12597407

IUPACethyl N-methyl-N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CN(C)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-5-11-8(10)9(4)6-7(2)3/h2,5-6H2,1,3-4H3
InChIKeyAIRAYXXZWOHHOC-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.65
Rot. Bonds3

About ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate

ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate (PubChem CID 12597407) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(2-methylprop-2-enyl)carbamate
PubChem CID12597407
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl N-methyl-N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CN(C)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-5-11-8(10)9(4)6-7(2)3/h2,5-6H2,1,3-4H3
InChIKeyAIRAYXXZWOHHOC-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
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 ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate (CID 12597407) is ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate is C=C(C)CN(C)C(=O)OCC.
What is the InChIKey of ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate?
The InChIKey is AIRAYXXZWOHHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-11-8(10)9(4)6-7(2)3/h2,5-6H2,1,3-4H3.
What are the key properties of ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate?
ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(2-methylprop-2-enyl)carbamate is sourced from PubChem (CID 12597407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).