[2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate

C14H22N2O3 — CID 141191355

IUPAC[2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate
SMILESC=CN1CCCC1CC(=O)OC(=O)C(=C)CN(C)C
InChIInChI=1S/C14H22N2O3/c1-5-16-8-6-7-12(16)9-13(17)19-14(18)11(2)10-15(3)4/h5,12H,1-2,6-10H2,3-4H3
InChIKeyREWKTNKJPWZGPK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.17
Rot. Bonds6

About [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate

[2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate (PubChem CID 141191355) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Name[2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate
PubChem CID141191355
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate
SMILESC=CN1CCCC1CC(=O)OC(=O)C(=C)CN(C)C
InChIInChI=1S/C14H22N2O3/c1-5-16-8-6-7-12(16)9-13(17)19-14(18)11(2)10-15(3)4/h5,12H,1-2,6-10H2,3-4H3
InChIKeyREWKTNKJPWZGPK-UHFFFAOYSA-N
XLogP1.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate?
The IUPAC name of [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate (CID 141191355) is [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate.
What is the SMILES notation for [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate?
The canonical SMILES for [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate is C=CN1CCCC1CC(=O)OC(=O)C(=C)CN(C)C.
What is the InChIKey of [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate?
The InChIKey is REWKTNKJPWZGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-16-8-6-7-12(16)9-13(17)19-14(18)11(2)10-15(3)4/h5,12H,1-2,6-10H2,3-4H3.
What are the key properties of [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate?
[2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethenylpyrrolidin-2-yl)acetyl] 2-[(dimethylamino)methyl]prop-2-enoate is sourced from PubChem (CID 141191355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).