tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate

C9H18N2O3 — CID 57368885

IUPACtert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate
SMILESCC(C)(C=NO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4,5)6-10-13/h6,13H,1-5H3,(H,11,12)
InChIKeyDKOMMBYFEOEXPK-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate

tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate (PubChem CID 57368885) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate
PubChem CID57368885
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate
SMILESCC(C)(C=NO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4,5)6-10-13/h6,13H,1-5H3,(H,11,12)
InChIKeyDKOMMBYFEOEXPK-UHFFFAOYSA-N
XLogP1.75
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate (CID 57368885) is tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate is CC(C)(C=NO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate?
The InChIKey is DKOMMBYFEOEXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4,5)6-10-13/h6,13H,1-5H3,(H,11,12).
What are the key properties of tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate?
tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate has a molecular weight of 202.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxyimino-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 57368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).