methyl prop-2-enoate;prop-2-enamide;styrene

C15H19NO3 — CID 160521380

IUPACmethyl prop-2-enoate;prop-2-enamide;styrene
SMILESC=CC(=O)OC.C=CC(N)=O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C4H6O2.C3H5NO/c1-2-8-6-4-3-5-7-8;1-3-4(5)6-2;1-2-3(4)5/h2-7H,1H2;3H,1H2,2H3;2H,1H2,(H2,4,5)
InChIKeyQUHVRDUJPHRGAS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds3

About methyl prop-2-enoate;prop-2-enamide;styrene

methyl prop-2-enoate;prop-2-enamide;styrene (PubChem CID 160521380) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl prop-2-enoate;prop-2-enamide;styrene.

Molecular Properties

Compound Namemethyl prop-2-enoate;prop-2-enamide;styrene
PubChem CID160521380
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl prop-2-enoate;prop-2-enamide;styrene
SMILESC=CC(=O)OC.C=CC(N)=O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C4H6O2.C3H5NO/c1-2-8-6-4-3-5-7-8;1-3-4(5)6-2;1-2-3(4)5/h2-7H,1H2;3H,1H2,2H3;2H,1H2,(H2,4,5)
InChIKeyQUHVRDUJPHRGAS-UHFFFAOYSA-N
XLogP2.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;methyl prop-2-enoate;styrene
CID 70448676
bicyclo[2.2.1]hept-2-ene;methyl prop-2-enoate;styrene
CID 86604939
methyl carbamate;oxetane;styrene
CID 68829385
methyl 2-methylpropanoate;prop-2-enoic acid;styrene
CID 174972609
benzene;ethene;methyl prop-2-enoate
CID 174897686
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
carbamoylurea;styrene
CID 175233762
prop-2-enoic acid;styrene
CID 160851252
butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
methyl prop-2-enoate;prop-1-en-2-ylbenzene
CID 18185793
methyl 2,2-dimethylpropanoate;styrene
CID 144999518

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;prop-2-enamide;styrene?
The IUPAC name of methyl prop-2-enoate;prop-2-enamide;styrene (CID 160521380) is methyl prop-2-enoate;prop-2-enamide;styrene.
What is the SMILES notation for methyl prop-2-enoate;prop-2-enamide;styrene?
The canonical SMILES for methyl prop-2-enoate;prop-2-enamide;styrene is C=CC(=O)OC.C=CC(N)=O.C=Cc1ccccc1.
What is the InChIKey of methyl prop-2-enoate;prop-2-enamide;styrene?
The InChIKey is QUHVRDUJPHRGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6O2.C3H5NO/c1-2-8-6-4-3-5-7-8;1-3-4(5)6-2;1-2-3(4)5/h2-7H,1H2;3H,1H2,2H3;2H,1H2,(H2,4,5).
What are the key properties of methyl prop-2-enoate;prop-2-enamide;styrene?
methyl prop-2-enoate;prop-2-enamide;styrene has a molecular weight of 261.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;prop-2-enamide;styrene is sourced from PubChem (CID 160521380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).