ethyl 2-(dimethylamino)-3-methylpent-4-enoate

C10H19NO2 — CID 12740741

IUPACethyl 2-(dimethylamino)-3-methylpent-4-enoate
SMILESC=CC(C)C(C(=O)OCC)N(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(3)9(11(4)5)10(12)13-7-2/h6,8-9H,1,7H2,2-5H3
InChIKeyZRZWSFSJYUPERO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.30
Rot. Bonds5

About ethyl 2-(dimethylamino)-3-methylpent-4-enoate

ethyl 2-(dimethylamino)-3-methylpent-4-enoate (PubChem CID 12740741) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-3-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-3-methylpent-4-enoate
PubChem CID12740741
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(dimethylamino)-3-methylpent-4-enoate
SMILESC=CC(C)C(C(=O)OCC)N(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(3)9(11(4)5)10(12)13-7-2/h6,8-9H,1,7H2,2-5H3
InChIKeyZRZWSFSJYUPERO-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-3-methylpent-4-enoate?
The IUPAC name of ethyl 2-(dimethylamino)-3-methylpent-4-enoate (CID 12740741) is ethyl 2-(dimethylamino)-3-methylpent-4-enoate.
What is the SMILES notation for ethyl 2-(dimethylamino)-3-methylpent-4-enoate?
The canonical SMILES for ethyl 2-(dimethylamino)-3-methylpent-4-enoate is C=CC(C)C(C(=O)OCC)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-3-methylpent-4-enoate?
The InChIKey is ZRZWSFSJYUPERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(3)9(11(4)5)10(12)13-7-2/h6,8-9H,1,7H2,2-5H3.
What are the key properties of ethyl 2-(dimethylamino)-3-methylpent-4-enoate?
ethyl 2-(dimethylamino)-3-methylpent-4-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-3-methylpent-4-enoate is sourced from PubChem (CID 12740741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).