tert-butyl N-formylcarbamate

C6H11NO3 — CID 11958038

IUPACtert-butyl N-formylcarbamate
SMILESCC(C)(C)OC(=O)NC=O
InChIInChI=1S/C6H11NO3/c1-6(2,3)10-5(9)7-4-8/h4H,1-3H3,(H,7,8,9)
InChIKeyARDNMIBEYQMEAN-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.67
Rot. Bonds1

About tert-butyl N-formylcarbamate

tert-butyl N-formylcarbamate (PubChem CID 11958038) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is tert-butyl N-formylcarbamate.

Molecular Properties

Compound Nametert-butyl N-formylcarbamate
PubChem CID11958038
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nametert-butyl N-formylcarbamate
SMILESCC(C)(C)OC(=O)NC=O
InChIInChI=1S/C6H11NO3/c1-6(2,3)10-5(9)7-4-8/h4H,1-3H3,(H,7,8,9)
InChIKeyARDNMIBEYQMEAN-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl methylcarbamate
CID 527635
Tert-butyl N-(trideuteriomethyl)carbamate
CID 154635979
tert-butyl N-(fluoromethyl)carbamate
CID 90274250
(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 145054262
2-methylbutan-2-yl N-methylcarbamate
CID 21353742
butyl N-formylcarbamate
CID 54037941
propyl N-formylcarbamate
CID 54081827
N-Boc-aminomethanol
CID 54138784
N-[(2-methylpropan-2-yl)oxymethyl]formamide
CID 57104660
[(2-Methylpropan-2-yl)oxycarbonylamino]methyl formate
CID 58238948
magnesium;tert-butyl N-methanidylcarbamate;iodide
CID 59001847
tert-butyl N-(methoxymethyl)carbamate
CID 59661965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-formylcarbamate?
The IUPAC name of tert-butyl N-formylcarbamate (CID 11958038) is tert-butyl N-formylcarbamate.
What is the SMILES notation for tert-butyl N-formylcarbamate?
The canonical SMILES for tert-butyl N-formylcarbamate is CC(C)(C)OC(=O)NC=O.
What is the InChIKey of tert-butyl N-formylcarbamate?
The InChIKey is ARDNMIBEYQMEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2,3)10-5(9)7-4-8/h4H,1-3H3,(H,7,8,9).
What are the key properties of tert-butyl N-formylcarbamate?
tert-butyl N-formylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-formylcarbamate is sourced from PubChem (CID 11958038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).