diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate

C14H25NO4 — CID 10564051

IUPACdiethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate
SMILESC=CC(CCN(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-6-11(9-10-15(4)5)12(13(16)18-7-2)14(17)19-8-3/h6,11-12H,1,7-10H2,2-5H3
InChIKeyZFTAMNJAZIPUFC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.48
Rot. Bonds9

About diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate

diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate (PubChem CID 10564051) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate
PubChem CID10564051
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namediethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate
SMILESC=CC(CCN(C)C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-6-11(9-10-15(4)5)12(13(16)18-7-2)14(17)19-8-3/h6,11-12H,1,7-10H2,2-5H3
InChIKeyZFTAMNJAZIPUFC-UHFFFAOYSA-N
XLogP1.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(3R)-hex-1-en-3-yl]propanedioate
CID 12989961
dimethyl 2-[(3R)-hept-1-en-3-yl]propanedioate
CID 14170343
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
diethyl 2-[(4S)-hepta-1,2-dien-4-yl]propanedioate
CID 134966061
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
diethyl 2-[(E)-7-(dimethylamino)hept-3-en-2-yl]propanedioate
CID 10780509
ethyl 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-3,3-dimethylbutanoate
CID 116537897
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate
CID 134927138
diethyl 2-(1-oxooctan-2-yl)propanedioate
CID 75971546
ethyl (2S)-2,6-bis(dimethylamino)hexanoate
CID 22213734
methyl 2-acetyl-3-ethenyloctanoate
CID 132536244

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate?
The IUPAC name of diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate (CID 10564051) is diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate.
What is the SMILES notation for diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate?
The canonical SMILES for diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate is C=CC(CCN(C)C)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate?
The InChIKey is ZFTAMNJAZIPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-11(9-10-15(4)5)12(13(16)18-7-2)14(17)19-8-3/h6,11-12H,1,7-10H2,2-5H3.
What are the key properties of diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate?
diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate is sourced from PubChem (CID 10564051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).