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

C8H14N2O4 — CID 10058659

IUPACmethyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCC(NC(=O)OC)C(=O)NOC
InChIInChI=1S/C8H14N2O4/c1-4-5-6(7(11)10-14-3)9-8(12)13-2/h4,6H,1,5H2,2-3H3,(H,9,12)(H,10,11)
InChIKeyLHYCDUUITHQZSX-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.04
Rot. Bonds5

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

methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10058659) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
PubChem CID10058659
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCC(NC(=O)OC)C(=O)NOC
InChIInChI=1S/C8H14N2O4/c1-4-5-6(7(11)10-14-3)9-8(12)13-2/h4,6H,1,5H2,2-3H3,(H,9,12)(H,10,11)
InChIKeyLHYCDUUITHQZSX-UHFFFAOYSA-N
XLogP-0.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.04
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 methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate (CID 10058659) is methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate is C=CCC(NC(=O)OC)C(=O)NOC.
What is the InChIKey of methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is LHYCDUUITHQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4-5-6(7(11)10-14-3)9-8(12)13-2/h4,6H,1,5H2,2-3H3,(H,9,12)(H,10,11).
What are the key properties of methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 202.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10058659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).