tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate

C11H20N2O4 — CID 10105876

IUPACtert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(=O)NOC
InChIInChI=1S/C11H20N2O4/c1-6-7-8(9(14)13-16-5)12-10(15)17-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyFGJQCUSMDRZYHQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.13
Rot. Bonds5

About tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate

tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10105876) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
PubChem CID10105876
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(=O)NOC
InChIInChI=1S/C11H20N2O4/c1-6-7-8(9(14)13-16-5)12-10(15)17-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyFGJQCUSMDRZYHQ-UHFFFAOYSA-N
XLogP1.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate (CID 10105876) is tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate is C=CCC(NC(=O)OC(C)(C)C)C(=O)NOC.
What is the InChIKey of tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is FGJQCUSMDRZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6-7-8(9(14)13-16-5)12-10(15)17-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,12,15)(H,13,14).
What are the key properties of tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 244.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10105876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).