2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene

C26H35NO4 — CID 69095633

IUPAC2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
SMILESC=CCN(CC=C)CCOC(=O)C(=C)C.C=CCOC(=O)C=C.C=Cc1ccccc1
InChIInChI=1S/C12H19NO2.C8H8.C6H8O2/c1-5-7-13(8-6-2)9-10-15-12(14)11(3)4;1-2-8-6-4-3-5-7-8;1-3-5-8-6(7)4-2/h5-6H,1-3,7-10H2,4H3;2-7H,1H2;3-4H,1-2,5H2
InChIKeyVIYGGWXCTFOMTP-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.01
Rot. Bonds12

About 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene

2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene (PubChem CID 69095633) has the molecular formula C26H35NO4 and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
PubChem CID69095633
Molecular FormulaC26H35NO4
Molecular Weight425.57 g/mol
Exact Mass425.26
IUPAC Name2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
SMILESC=CCN(CC=C)CCOC(=O)C(=C)C.C=CCOC(=O)C=C.C=Cc1ccccc1
InChIInChI=1S/C12H19NO2.C8H8.C6H8O2/c1-5-7-13(8-6-2)9-10-15-12(14)11(3)4;1-2-8-6-4-3-5-7-8;1-3-5-8-6(7)4-2/h5-6H,1-3,7-10H2,4H3;2-7H,1H2;3-4H,1-2,5H2
InChIKeyVIYGGWXCTFOMTP-UHFFFAOYSA-N
XLogP5.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene 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

prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174793037
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70370105
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate;styrene
CID 170853270

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene?
The IUPAC name of 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene (CID 69095633) is 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene is C=CCN(CC=C)CCOC(=O)C(=C)C.C=CCOC(=O)C=C.C=Cc1ccccc1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene?
The InChIKey is VIYGGWXCTFOMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C8H8.C6H8O2/c1-5-7-13(8-6-2)9-10-15-12(14)11(3)4;1-2-8-6-4-3-5-7-8;1-3-5-8-6(7)4-2/h5-6H,1-3,7-10H2,4H3;2-7H,1H2;3-4H,1-2,5H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene?
2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene has a molecular weight of 425.57 g/mol, XLogP of 5.01, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene is sourced from PubChem (CID 69095633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).