methyl (Z)-5-(dimethylamino)pent-2-enoate

C8H15NO2 — CID 117272420

IUPACmethyl (Z)-5-(dimethylamino)pent-2-enoate
SMILESCOC(=O)/C=C\CCN(C)C
InChIInChI=1S/C8H15NO2/c1-9(2)7-5-4-6-8(10)11-3/h4,6H,5,7H2,1-3H3/b6-4-
InChIKeyGWXREINKBXMTRH-XQRVVYSFSA-N
MW157.21 g/mol
LogP0.67
Rot. Bonds4

About methyl (Z)-5-(dimethylamino)pent-2-enoate

methyl (Z)-5-(dimethylamino)pent-2-enoate (PubChem CID 117272420) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (Z)-5-(dimethylamino)pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(dimethylamino)pent-2-enoate
PubChem CID117272420
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (Z)-5-(dimethylamino)pent-2-enoate
SMILESCOC(=O)/C=C\CCN(C)C
InChIInChI=1S/C8H15NO2/c1-9(2)7-5-4-6-8(10)11-3/h4,6H,5,7H2,1-3H3/b6-4-
InChIKeyGWXREINKBXMTRH-XQRVVYSFSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(dimethylamino)pent-2-enoate?
The IUPAC name of methyl (Z)-5-(dimethylamino)pent-2-enoate (CID 117272420) is methyl (Z)-5-(dimethylamino)pent-2-enoate.
What is the SMILES notation for methyl (Z)-5-(dimethylamino)pent-2-enoate?
The canonical SMILES for methyl (Z)-5-(dimethylamino)pent-2-enoate is COC(=O)/C=C\CCN(C)C.
What is the InChIKey of methyl (Z)-5-(dimethylamino)pent-2-enoate?
The InChIKey is GWXREINKBXMTRH-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9(2)7-5-4-6-8(10)11-3/h4,6H,5,7H2,1-3H3/b6-4-.
What are the key properties of methyl (Z)-5-(dimethylamino)pent-2-enoate?
methyl (Z)-5-(dimethylamino)pent-2-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 (Z)-5-(dimethylamino)pent-2-enoate is sourced from PubChem (CID 117272420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).