methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate

C10H17NO2 — CID 134470243

IUPACmethyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
SMILESC=C=CC(CCN(C)C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-5-6-9(10(12)13-4)7-8-11(2)3/h6,9H,1,7-8H2,2-4H3
InChIKeyLDQUAMJOJNHNGZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds5

About methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate

methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate (PubChem CID 134470243) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
PubChem CID134470243
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
SMILESC=C=CC(CCN(C)C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-5-6-9(10(12)13-4)7-8-11(2)3/h6,9H,1,7-8H2,2-4H3
InChIKeyLDQUAMJOJNHNGZ-UHFFFAOYSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63027229
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CID 155721839
methyl 2-benzyl-4-(dimethylamino)butanoate
CID 170551265
(2S)-4-(dimethylamino)-2-hydroxybutanal
CID 144793391
methyl 2-(2-oxoethyl)but-3-enoate
CID 123768529
buta-2,3-dienyl methyl carbonate
CID 10855467
diethyl 2-[5-(dimethylamino)pent-1-en-3-yl]propanedioate
CID 10564051
dimethyl 2-(3-propa-1,2-dienoxypropyl)propanedioate
CID 15437509
methyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)propanoate
CID 102996557
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
methyl 2-ethenyl-4-methylpentanoate
CID 143585264
methyl 2-[15-(dimethylamino)pentadecanoylamino]-4-sulfanylbutanoate
CID 123802243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate (CID 134470243) is methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate is C=C=CC(CCN(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate?
The InChIKey is LDQUAMJOJNHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-9(10(12)13-4)7-8-11(2)3/h6,9H,1,7-8H2,2-4H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate?
methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate has a molecular weight of 183.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate is sourced from PubChem (CID 134470243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).