2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene

C25H37NO7 — CID 174493800

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCN(C)C.C=CC(=O)OCCO.C=Cc1ccccc1
InChIInChI=1S/C8H15NO2.C8H8.C5H8O3.C4H6O2/c1-7(2)8(10)11-6-5-9(3)4;1-2-8-6-4-3-5-7-8;1-2-5(7)8-4-3-6;1-3(2)4(5)6/h1,5-6H2,2-4H3;2-7H,1H2;2,6H,1,3-4H2;1H2,2H3,(H,5,6)
InChIKeyNNWKOIFQAXABHY-UHFFFAOYSA-N
MW463.57 g/mol
LogP3.35
Rot. Bonds9

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene

2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene (PubChem CID 174493800) has the molecular formula C25H37NO7 and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
PubChem CID174493800
Molecular FormulaC25H37NO7
Molecular Weight463.57 g/mol
Exact Mass463.26
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCCN(C)C.C=CC(=O)OCCO.C=Cc1ccccc1
InChIInChI=1S/C8H15NO2.C8H8.C5H8O3.C4H6O2/c1-7(2)8(10)11-6-5-9(3)4;1-2-8-6-4-3-5-7-8;1-2-5(7)8-4-3-6;1-3(2)4(5)6/h1,5-6H2,2-4H3;2-7H,1H2;2,6H,1,3-4H2;1H2,2H3,(H,5,6)
InChIKeyNNWKOIFQAXABHY-UHFFFAOYSA-N
XLogP3.35
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174793037
tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70370105
2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 69095633
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
CID 161285099
ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
CID 123212080
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene (CID 174493800) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene is C=C(C)C(=O)O.C=C(C)C(=O)OCCN(C)C.C=CC(=O)OCCO.C=Cc1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene?
The InChIKey is NNWKOIFQAXABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C8H8.C5H8O3.C4H6O2/c1-7(2)8(10)11-6-5-9(3)4;1-2-8-6-4-3-5-7-8;1-2-5(7)8-4-3-6;1-3(2)4(5)6/h1,5-6H2,2-4H3;2-7H,1H2;2,6H,1,3-4H2;1H2,2H3,(H,5,6).
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene has a molecular weight of 463.57 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene is sourced from PubChem (CID 174493800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).