tritio N-butan-2-yl-N-methylcarbamate

C6H13NO2 — CID 58226134

IUPACtritio N-butan-2-yl-N-methylcarbamate
SMILES[3H]OC(=O)N(C)C(C)CC
InChIInChI=1S/C6H13NO2/c1-4-5(2)7(3)6(8)9/h5H,4H2,1-3H3,(H,8,9)/i/hT
InChIKeyUCNNWYLIQNJZSV-MNYXATJNSA-N
MW133.18 g/mol
LogP1.39
Rot. Bonds2

About tritio N-butan-2-yl-N-methylcarbamate

tritio N-butan-2-yl-N-methylcarbamate (PubChem CID 58226134) has the molecular formula C6H13NO2 and a molecular weight of 133.18 g/mol. Its IUPAC name is tritio N-butan-2-yl-N-methylcarbamate.

Molecular Properties

Compound Nametritio N-butan-2-yl-N-methylcarbamate
PubChem CID58226134
Molecular FormulaC6H13NO2
Molecular Weight133.18 g/mol
Exact Mass133.10
IUPAC Nametritio N-butan-2-yl-N-methylcarbamate
SMILES[3H]OC(=O)N(C)C(C)CC
InChIInChI=1S/C6H13NO2/c1-4-5(2)7(3)6(8)9/h5H,4H2,1-3H3,(H,8,9)/i/hT
InChIKeyUCNNWYLIQNJZSV-MNYXATJNSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tritio N-butan-2-yl-N-methylcarbamate?
The IUPAC name of tritio N-butan-2-yl-N-methylcarbamate (CID 58226134) is tritio N-butan-2-yl-N-methylcarbamate.
What is the SMILES notation for tritio N-butan-2-yl-N-methylcarbamate?
The canonical SMILES for tritio N-butan-2-yl-N-methylcarbamate is [3H]OC(=O)N(C)C(C)CC.
What is the InChIKey of tritio N-butan-2-yl-N-methylcarbamate?
The InChIKey is UCNNWYLIQNJZSV-MNYXATJNSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5(2)7(3)6(8)9/h5H,4H2,1-3H3,(H,8,9)/i/hT.
What are the key properties of tritio N-butan-2-yl-N-methylcarbamate?
tritio N-butan-2-yl-N-methylcarbamate has a molecular weight of 133.18 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tritio N-butan-2-yl-N-methylcarbamate is sourced from PubChem (CID 58226134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).