methyl (E)-4-(diethylamino)-2-methylbut-2-enoate

C10H19NO2 — CID 88615916

IUPACmethyl (E)-4-(diethylamino)-2-methylbut-2-enoate
SMILESCCN(CC)C/C=C(\C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-11(6-2)8-7-9(3)10(12)13-4/h7H,5-6,8H2,1-4H3/b9-7+
InChIKeySCEZDPOAYVHILR-VQHVLOKHSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds5

About methyl (E)-4-(diethylamino)-2-methylbut-2-enoate

methyl (E)-4-(diethylamino)-2-methylbut-2-enoate (PubChem CID 88615916) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (E)-4-(diethylamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(diethylamino)-2-methylbut-2-enoate
PubChem CID88615916
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (E)-4-(diethylamino)-2-methylbut-2-enoate
SMILESCCN(CC)C/C=C(\C)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-5-11(6-2)8-7-9(3)10(12)13-4/h7H,5-6,8H2,1-4H3/b9-7+
InChIKeySCEZDPOAYVHILR-VQHVLOKHSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-(diethylamino)-2-methylbut-2-enoate?
The IUPAC name of methyl (E)-4-(diethylamino)-2-methylbut-2-enoate (CID 88615916) is methyl (E)-4-(diethylamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl (E)-4-(diethylamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl (E)-4-(diethylamino)-2-methylbut-2-enoate is CCN(CC)C/C=C(\C)C(=O)OC.
What is the InChIKey of methyl (E)-4-(diethylamino)-2-methylbut-2-enoate?
The InChIKey is SCEZDPOAYVHILR-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-11(6-2)8-7-9(3)10(12)13-4/h7H,5-6,8H2,1-4H3/b9-7+.
What are the key properties of methyl (E)-4-(diethylamino)-2-methylbut-2-enoate?
methyl (E)-4-(diethylamino)-2-methylbut-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(diethylamino)-2-methylbut-2-enoate is sourced from PubChem (CID 88615916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).