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

C10H16N2O4 — CID 10263167

IUPACprop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCOC(=O)NC(CC=C)C(=O)NOC
InChIInChI=1S/C10H16N2O4/c1-4-6-8(9(13)12-15-3)11-10(14)16-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,14)(H,12,13)
InChIKeyJSKPBNFQBWDCEO-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.52
Rot. Bonds7

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

prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10263167) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
PubChem CID10263167
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameprop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCOC(=O)NC(CC=C)C(=O)NOC
InChIInChI=1S/C10H16N2O4/c1-4-6-8(9(13)12-15-3)11-10(14)16-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,14)(H,12,13)
InChIKeyJSKPBNFQBWDCEO-UHFFFAOYSA-N
XLogP0.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.52
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'}

Analyze prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate (CID 10263167) is prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate is C=CCOC(=O)NC(CC=C)C(=O)NOC.
What is the InChIKey of prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is JSKPBNFQBWDCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-6-8(9(13)12-15-3)11-10(14)16-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,14)(H,12,13).
What are the key properties of prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate?
prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 228.25 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10263167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).