tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate

C12H21NO3 — CID 73153427

IUPACtert-butyl N-formyl-N-hex-1-en-3-ylcarbamate
SMILESC=CC(CCC)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-6-8-10(7-2)13(9-14)11(15)16-12(3,4)5/h7,9-10H,2,6,8H2,1,3-5H3
InChIKeyVOXVLUQKQMPDTQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate

tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate (PubChem CID 73153427) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-formyl-N-hex-1-en-3-ylcarbamate
PubChem CID73153427
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-formyl-N-hex-1-en-3-ylcarbamate
SMILESC=CC(CCC)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-6-8-10(7-2)13(9-14)11(15)16-12(3,4)5/h7,9-10H,2,6,8H2,1,3-5H3
InChIKeyVOXVLUQKQMPDTQ-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate?
The IUPAC name of tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate (CID 73153427) is tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate?
The canonical SMILES for tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate is C=CC(CCC)N(C=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate?
The InChIKey is VOXVLUQKQMPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-6-8-10(7-2)13(9-14)11(15)16-12(3,4)5/h7,9-10H,2,6,8H2,1,3-5H3.
What are the key properties of tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate?
tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate has a molecular weight of 227.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate is sourced from PubChem (CID 73153427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).