tert-butyl N-buta-2,3-dienylcarbamate

C9H15NO2 — CID 14585915

IUPACtert-butyl N-buta-2,3-dienylcarbamate
SMILESC=C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11)
InChIKeyAMRPVMHVZVNBQI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.85
Rot. Bonds2

About tert-butyl N-buta-2,3-dienylcarbamate

tert-butyl N-buta-2,3-dienylcarbamate (PubChem CID 14585915) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is tert-butyl N-buta-2,3-dienylcarbamate.

Molecular Properties

Compound Nametert-butyl N-buta-2,3-dienylcarbamate
PubChem CID14585915
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nametert-butyl N-buta-2,3-dienylcarbamate
SMILESC=C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11)
InChIKeyAMRPVMHVZVNBQI-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-buta-2,3-dienylcarbamate?
The IUPAC name of tert-butyl N-buta-2,3-dienylcarbamate (CID 14585915) is tert-butyl N-buta-2,3-dienylcarbamate.
What is the SMILES notation for tert-butyl N-buta-2,3-dienylcarbamate?
The canonical SMILES for tert-butyl N-buta-2,3-dienylcarbamate is C=C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-buta-2,3-dienylcarbamate?
The InChIKey is AMRPVMHVZVNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11).
What are the key properties of tert-butyl N-buta-2,3-dienylcarbamate?
tert-butyl N-buta-2,3-dienylcarbamate has a molecular weight of 169.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-buta-2,3-dienylcarbamate is sourced from PubChem (CID 14585915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).