(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide

C14H23NO6 — CID 160685557

IUPAC(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
SMILESC.C=CC(=O)OCC(O)COC(=O)C(=C)C.C=CC(N)=O
InChIInChI=1S/C10H14O5.C3H5NO.CH4/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-2-3(4)5;/h4,8,11H,1-2,5-6H2,3H3;2H,1H2,(H2,4,5);1H4
InChIKeyROSGIVMNXJGLGR-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.49
Rot. Bonds7

About (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide

(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide (PubChem CID 160685557) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
PubChem CID160685557
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
SMILESC.C=CC(=O)OCC(O)COC(=O)C(=C)C.C=CC(N)=O
InChIInChI=1S/C10H14O5.C3H5NO.CH4/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-2-3(4)5;/h4,8,11H,1-2,5-6H2,3H3;2H,1H2,(H2,4,5);1H4
InChIKeyROSGIVMNXJGLGR-UHFFFAOYSA-N
XLogP0.49
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
CID 174939081
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
CID 174553100
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 87751077
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174950031
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide?
The IUPAC name of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide (CID 160685557) is (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide?
The canonical SMILES for (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide is C.C=CC(=O)OCC(O)COC(=O)C(=C)C.C=CC(N)=O.
What is the InChIKey of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide?
The InChIKey is ROSGIVMNXJGLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C3H5NO.CH4/c1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-2-3(4)5;/h4,8,11H,1-2,5-6H2,3H3;2H,1H2,(H2,4,5);1H4.
What are the key properties of (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide?
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide has a molecular weight of 301.34 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide is sourced from PubChem (CID 160685557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).