azane;methyl prop-2-enoate;styrene

C12H17NO2 — CID 70448676

IUPACazane;methyl prop-2-enoate;styrene
SMILESC=CC(=O)OC.C=Cc1ccccc1.N
InChIInChI=1S/C8H8.C4H6O2.H3N/c1-2-8-6-4-3-5-7-8;1-3-4(5)6-2;/h2-7H,1H2;3H,1H2,2H3;1H3
InChIKeyWQLXUHBVWSYSTP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.84
Rot. Bonds2

About azane;methyl prop-2-enoate;styrene

azane;methyl prop-2-enoate;styrene (PubChem CID 70448676) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is azane;methyl prop-2-enoate;styrene.

Molecular Properties

Compound Nameazane;methyl prop-2-enoate;styrene
PubChem CID70448676
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameazane;methyl prop-2-enoate;styrene
SMILESC=CC(=O)OC.C=Cc1ccccc1.N
InChIInChI=1S/C8H8.C4H6O2.H3N/c1-2-8-6-4-3-5-7-8;1-3-4(5)6-2;/h2-7H,1H2;3H,1H2,2H3;1H3
InChIKeyWQLXUHBVWSYSTP-UHFFFAOYSA-N
XLogP2.84
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.84
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

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CID 160521380
bicyclo[2.2.1]hept-2-ene;methyl prop-2-enoate;styrene
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benzene;ethene;methyl prop-2-enoate
CID 174897686
prop-2-enoic acid;styrene
CID 160851252
methyl prop-2-enoate;prop-1-en-2-ylbenzene
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methyl 2,2-dimethylpropanoate;styrene
CID 144999518
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CID 174972609
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
1-chloro-2-ethenylbenzene;methyl prop-2-enoate
CID 174899210
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CID 174376809
methyl carbamate;oxetane;styrene
CID 68829385

Frequently Asked Questions

What is the IUPAC name of azane;methyl prop-2-enoate;styrene?
The IUPAC name of azane;methyl prop-2-enoate;styrene (CID 70448676) is azane;methyl prop-2-enoate;styrene.
What is the SMILES notation for azane;methyl prop-2-enoate;styrene?
The canonical SMILES for azane;methyl prop-2-enoate;styrene is C=CC(=O)OC.C=Cc1ccccc1.N.
What is the InChIKey of azane;methyl prop-2-enoate;styrene?
The InChIKey is WQLXUHBVWSYSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6O2.H3N/c1-2-8-6-4-3-5-7-8;1-3-4(5)6-2;/h2-7H,1H2;3H,1H2,2H3;1H3.
What are the key properties of azane;methyl prop-2-enoate;styrene?
azane;methyl prop-2-enoate;styrene has a molecular weight of 207.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl prop-2-enoate;styrene is sourced from PubChem (CID 70448676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).