tert-butyl N-(2-methylprop-2-enyl)carbamate

C9H17NO2 — CID 13294365

IUPACtert-butyl N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h1,6H2,2-5H3,(H,10,11)
InChIKeyKNDCLOGKZOTPEJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl N-(2-methylprop-2-enyl)carbamate

tert-butyl N-(2-methylprop-2-enyl)carbamate (PubChem CID 13294365) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl N-(2-methylprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylprop-2-enyl)carbamate
PubChem CID13294365
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h1,6H2,2-5H3,(H,10,11)
InChIKeyKNDCLOGKZOTPEJ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
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 tert-butyl N-(2-methylprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylprop-2-enyl)carbamate (CID 13294365) is tert-butyl N-(2-methylprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylprop-2-enyl)carbamate is C=C(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylprop-2-enyl)carbamate?
The InChIKey is KNDCLOGKZOTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h1,6H2,2-5H3,(H,10,11).
What are the key properties of tert-butyl N-(2-methylprop-2-enyl)carbamate?
tert-butyl N-(2-methylprop-2-enyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylprop-2-enyl)carbamate is sourced from PubChem (CID 13294365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).