tert-butyl N-(5-oxopentyl)carbamate

C10H19NO3 — CID 13417361

IUPACtert-butyl N-(5-oxopentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC=O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyCEVHIIIWKYIIGT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds5

About tert-butyl N-(5-oxopentyl)carbamate

tert-butyl N-(5-oxopentyl)carbamate (PubChem CID 13417361) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(5-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxopentyl)carbamate
PubChem CID13417361
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(5-oxopentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC=O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyCEVHIIIWKYIIGT-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-(5-oxopentyl)carbamate (CID 13417361) is tert-butyl N-(5-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-oxopentyl)carbamate is CC(C)(C)OC(=O)NCCCCC=O.
What is the InChIKey of tert-butyl N-(5-oxopentyl)carbamate?
The InChIKey is CEVHIIIWKYIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(5-oxopentyl)carbamate?
tert-butyl N-(5-oxopentyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxopentyl)carbamate is sourced from PubChem (CID 13417361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).