[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate

C12H19NO3 — CID 59721634

IUPAC[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate
SMILESC=CCN(CC=C)CC(O)COC(=O)C=C
InChIInChI=1S/C12H19NO3/c1-4-7-13(8-5-2)9-11(14)10-16-12(15)6-3/h4-6,11,14H,1-3,7-10H2
InChIKeyDLGKKORQKIWIBJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.75
Rot. Bonds9

About [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate

[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate (PubChem CID 59721634) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate
PubChem CID59721634
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate
SMILESC=CCN(CC=C)CC(O)COC(=O)C=C
InChIInChI=1S/C12H19NO3/c1-4-7-13(8-5-2)9-11(14)10-16-12(15)6-3/h4-6,11,14H,1-3,7-10H2
InChIKeyDLGKKORQKIWIBJ-UHFFFAOYSA-N
XLogP0.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
CID 173034906
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
CID 90382332
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-dimethylmethanamine
CID 87225254
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-diethylethanamine
CID 87225352
(4,4-difluoro-2,6-dihydroxy-7-prop-2-enoyloxyheptyl) prop-2-enoate
CID 155788262
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785

Frequently Asked Questions

What is the IUPAC name of [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate?
The IUPAC name of [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate (CID 59721634) is [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate.
What is the SMILES notation for [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate?
The canonical SMILES for [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate is C=CCN(CC=C)CC(O)COC(=O)C=C.
What is the InChIKey of [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate?
The InChIKey is DLGKKORQKIWIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-7-13(8-5-2)9-11(14)10-16-12(15)6-3/h4-6,11,14H,1-3,7-10H2.
What are the key properties of [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate?
[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate has a molecular weight of 225.29 g/mol, XLogP of 0.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate is sourced from PubChem (CID 59721634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).