[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate

C12H15NO6 — CID 58984040

IUPAC[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
SMILESC=CC(=O)OCN(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C12H15NO6/c1-4-10(14)17-7-13(8-18-11(15)5-2)9-19-12(16)6-3/h4-6H,1-3,7-9H2
InChIKeyVJIHTXBFLOJPAV-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.35
Rot. Bonds9

About [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate

[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate (PubChem CID 58984040) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate.

Molecular Properties

Compound Name[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
PubChem CID58984040
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
SMILESC=CC(=O)OCN(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C12H15NO6/c1-4-10(14)17-7-13(8-18-11(15)5-2)9-19-12(16)6-3/h4-6H,1-3,7-9H2
InChIKeyVJIHTXBFLOJPAV-UHFFFAOYSA-N
XLogP0.35
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

(dihexylamino)methyl prop-2-enoate
CID 22389684
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[methyl(propyl)amino]methyl prop-2-enoate
CID 91333116
methane;prop-2-enyl prop-2-enoate
CID 87568259
2,3-dibromopropyl prop-2-enoate
CID 29728
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
ethyl prop-2-enoate;sulfane
CID 157093783
ethenamine;ethyl prop-2-enoate
CID 22022699

Frequently Asked Questions

What is the IUPAC name of [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate?
The IUPAC name of [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate (CID 58984040) is [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate.
What is the SMILES notation for [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate?
The canonical SMILES for [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate is C=CC(=O)OCN(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate?
The InChIKey is VJIHTXBFLOJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-4-10(14)17-7-13(8-18-11(15)5-2)9-19-12(16)6-3/h4-6H,1-3,7-9H2.
What are the key properties of [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate?
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate has a molecular weight of 269.25 g/mol, XLogP of 0.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate is sourced from PubChem (CID 58984040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).