2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate

C14H20N2O2 — CID 141039462

IUPAC2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate
SMILESC=Cn1cccc1C(=C)C(=O)OCC(C)N(C)C
InChIInChI=1S/C14H20N2O2/c1-6-16-9-7-8-13(16)12(3)14(17)18-10-11(2)15(4)5/h6-9,11H,1,3,10H2,2,4-5H3
InChIKeyABWBFARVBYIVKD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.10
Rot. Bonds6

About 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate

2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate (PubChem CID 141039462) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate
PubChem CID141039462
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate
SMILESC=Cn1cccc1C(=C)C(=O)OCC(C)N(C)C
InChIInChI=1S/C14H20N2O2/c1-6-16-9-7-8-13(16)12(3)14(17)18-10-11(2)15(4)5/h6-9,11H,1,3,10H2,2,4-5H3
InChIKeyABWBFARVBYIVKD-UHFFFAOYSA-N
XLogP2.10
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1-ethenylpyrrol-2-yl)methanone
CID 174895102
2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate
CID 141191229
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158771008
ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
CID 105421898
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
2-(dimethylamino)propyl 2-(2,2-diphenylethoxy)acetate
CID 71436593
1-ethenyl-2-ethylpyrrole
CID 15939209
N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 82505454
1-[1-[2-(dimethylamino)propyl]pyrrol-2-yl]-2-phenylethanone
CID 23487
2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate
CID 141122455
N-(1-hydroxypropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 115765031

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate?
The IUPAC name of 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate (CID 141039462) is 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate?
The canonical SMILES for 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate is C=Cn1cccc1C(=C)C(=O)OCC(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate?
The InChIKey is ABWBFARVBYIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-6-16-9-7-8-13(16)12(3)14(17)18-10-11(2)15(4)5/h6-9,11H,1,3,10H2,2,4-5H3.
What are the key properties of 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate?
2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate has a molecular weight of 248.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate is sourced from PubChem (CID 141039462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).