methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate

C10H15NO4 — CID 13128365

IUPACmethyl [pent-4-enoyl(prop-2-enyl)amino] carbonate
SMILESC=CCCC(=O)N(CC=C)OC(=O)OC
InChIInChI=1S/C10H15NO4/c1-4-6-7-9(12)11(8-5-2)15-10(13)14-3/h4-5H,1-2,6-8H2,3H3
InChIKeyWGIVPHFSNFHRGB-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.67
Rot. Bonds5

About methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate

methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate (PubChem CID 13128365) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate.

Molecular Properties

Compound Namemethyl [pent-4-enoyl(prop-2-enyl)amino] carbonate
PubChem CID13128365
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl [pent-4-enoyl(prop-2-enyl)amino] carbonate
SMILESC=CCCC(=O)N(CC=C)OC(=O)OC
InChIInChI=1S/C10H15NO4/c1-4-6-7-9(12)11(8-5-2)15-10(13)14-3/h4-5H,1-2,6-8H2,3H3
InChIKeyWGIVPHFSNFHRGB-UHFFFAOYSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate 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 methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate?
The IUPAC name of methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate (CID 13128365) is methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate.
What is the SMILES notation for methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate?
The canonical SMILES for methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate is C=CCCC(=O)N(CC=C)OC(=O)OC.
What is the InChIKey of methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate?
The InChIKey is WGIVPHFSNFHRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-6-7-9(12)11(8-5-2)15-10(13)14-3/h4-5H,1-2,6-8H2,3H3.
What are the key properties of methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate?
methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate has a molecular weight of 213.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [pent-4-enoyl(prop-2-enyl)amino] carbonate is sourced from PubChem (CID 13128365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).