methyl 2-(dimethylamino)pent-4-enoate

C8H15NO2 — CID 10607020

IUPACmethyl 2-(dimethylamino)pent-4-enoate
SMILESC=CCC(C(=O)OC)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-7(9(2)3)8(10)11-4/h5,7H,1,6H2,2-4H3
InChIKeyYOPNWIQNZIMUIT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.67
Rot. Bonds4

About methyl 2-(dimethylamino)pent-4-enoate

methyl 2-(dimethylamino)pent-4-enoate (PubChem CID 10607020) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-(dimethylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)pent-4-enoate
PubChem CID10607020
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-(dimethylamino)pent-4-enoate
SMILESC=CCC(C(=O)OC)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-7(9(2)3)8(10)11-4/h5,7H,1,6H2,2-4H3
InChIKeyYOPNWIQNZIMUIT-UHFFFAOYSA-N
XLogP0.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.67
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 methyl 2-(dimethylamino)pent-4-enoate?
The IUPAC name of methyl 2-(dimethylamino)pent-4-enoate (CID 10607020) is methyl 2-(dimethylamino)pent-4-enoate.
What is the SMILES notation for methyl 2-(dimethylamino)pent-4-enoate?
The canonical SMILES for methyl 2-(dimethylamino)pent-4-enoate is C=CCC(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)pent-4-enoate?
The InChIKey is YOPNWIQNZIMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-7(9(2)3)8(10)11-4/h5,7H,1,6H2,2-4H3.
What are the key properties of methyl 2-(dimethylamino)pent-4-enoate?
methyl 2-(dimethylamino)pent-4-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)pent-4-enoate is sourced from PubChem (CID 10607020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).