tert-butyl N-methyl-N-prop-2-enylcarbamate

C9H17NO2 — CID 10241245

IUPACtert-butyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6H,1,7H2,2-5H3
InChIKeySCCPQPQIOJNZIE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-methyl-N-prop-2-enylcarbamate

tert-butyl N-methyl-N-prop-2-enylcarbamate (PubChem CID 10241245) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-prop-2-enylcarbamate
PubChem CID10241245
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6H,1,7H2,2-5H3
InChIKeySCCPQPQIOJNZIE-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.04
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 tert-butyl N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-prop-2-enylcarbamate (CID 10241245) is tert-butyl N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-prop-2-enylcarbamate?
The InChIKey is SCCPQPQIOJNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6H,1,7H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-prop-2-enylcarbamate?
tert-butyl N-methyl-N-prop-2-enylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 10241245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).