[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate

C12H19NO4 — CID 139724297

IUPAC[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)CN(C)C
InChIInChI=1S/C12H19NO4/c1-5-11(14)16-8-10(7-13(3)4)9-17-12(15)6-2/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyGBQZLCPRGZSHRT-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.62
Rot. Bonds8

About [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 139724297) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID139724297
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)CN(C)C
InChIInChI=1S/C12H19NO4/c1-5-11(14)16-8-10(7-13(3)4)9-17-12(15)6-2/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyGBQZLCPRGZSHRT-UHFFFAOYSA-N
XLogP0.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 2-methylbutanoate
CID 58805573
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-dimethylmethanamine
CID 87225254
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
2-octyldecyl prop-2-enoate
CID 71353023
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
CID 173034906
2-butyldodecyl prop-2-enoate
CID 141303705
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 58984040

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 139724297) is [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(COC(=O)C=C)CN(C)C.
What is the InChIKey of [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is GBQZLCPRGZSHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-11(14)16-8-10(7-13(3)4)9-17-12(15)6-2/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 139724297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).