2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

C14H22N2O3 — CID 140995096

IUPAC2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=CN1CCCC1C(=C=O)C(=O)OCC(C)N(C)C
InChIInChI=1S/C14H22N2O3/c1-5-16-8-6-7-13(16)12(9-17)14(18)19-10-11(2)15(3)4/h5,11,13H,1,6-8,10H2,2-4H3
InChIKeySZQOCBSGWSXCRX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds6

About 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (PubChem CID 140995096) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
PubChem CID140995096
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=CN1CCCC1C(=C=O)C(=O)OCC(C)N(C)C
InChIInChI=1S/C14H22N2O3/c1-5-16-8-6-7-13(16)12(9-17)14(18)19-10-11(2)15(3)4/h5,11,13H,1,6-8,10H2,2-4H3
InChIKeySZQOCBSGWSXCRX-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', '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-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The IUPAC name of 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (CID 140995096) is 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is C=CN1CCCC1C(=C=O)C(=O)OCC(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The InChIKey is SZQOCBSGWSXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-16-8-6-7-13(16)12(9-17)14(18)19-10-11(2)15(3)4/h5,11,13H,1,6-8,10H2,2-4H3.
What are the key properties of 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is sourced from PubChem (CID 140995096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).