methyl 3-(dimethylamino)prop-2-enoate

C6H11NO2 — CID 566587

IUPACmethyl 3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)C=CN(C)C
InChIInChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3
InChIKeyMVPDNJQLPITPIX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.23
Rot. Bonds2

About methyl 3-(dimethylamino)prop-2-enoate

methyl 3-(dimethylamino)prop-2-enoate (PubChem CID 566587) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 3-(dimethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)prop-2-enoate
PubChem CID566587
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)C=CN(C)C
InChIInChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3
InChIKeyMVPDNJQLPITPIX-UHFFFAOYSA-N
XLogP0.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)prop-2-enoate?
The IUPAC name of methyl 3-(dimethylamino)prop-2-enoate (CID 566587) is methyl 3-(dimethylamino)prop-2-enoate.
What is the SMILES notation for methyl 3-(dimethylamino)prop-2-enoate?
The canonical SMILES for methyl 3-(dimethylamino)prop-2-enoate is COC(=O)C=CN(C)C.
What is the InChIKey of methyl 3-(dimethylamino)prop-2-enoate?
The InChIKey is MVPDNJQLPITPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3.
What are the key properties of methyl 3-(dimethylamino)prop-2-enoate?
methyl 3-(dimethylamino)prop-2-enoate has a molecular weight of 129.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)prop-2-enoate is sourced from PubChem (CID 566587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).