methyl (E)-2-(dimethylamino)pent-2-enoate

C8H15NO2 — CID 87424780

IUPACmethyl (E)-2-(dimethylamino)pent-2-enoate
SMILESCC/C=C(\C(=O)OC)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-7(9(2)3)8(10)11-4/h6H,5H2,1-4H3/b7-6+
InChIKeyKJOPBCCBFQIVQV-VOTSOKGWSA-N
MW157.21 g/mol
LogP1.01
Rot. Bonds3

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

methyl (E)-2-(dimethylamino)pent-2-enoate (PubChem CID 87424780) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (E)-2-(dimethylamino)pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-(dimethylamino)pent-2-enoate
PubChem CID87424780
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (E)-2-(dimethylamino)pent-2-enoate
SMILESCC/C=C(\C(=O)OC)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-7(9(2)3)8(10)11-4/h6H,5H2,1-4H3/b7-6+
InChIKeyKJOPBCCBFQIVQV-VOTSOKGWSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.01
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)-2-(dimethylamino)pent-2-enoate?
The IUPAC name of methyl (E)-2-(dimethylamino)pent-2-enoate (CID 87424780) is methyl (E)-2-(dimethylamino)pent-2-enoate.
What is the SMILES notation for methyl (E)-2-(dimethylamino)pent-2-enoate?
The canonical SMILES for methyl (E)-2-(dimethylamino)pent-2-enoate is CC/C=C(\C(=O)OC)N(C)C.
What is the InChIKey of methyl (E)-2-(dimethylamino)pent-2-enoate?
The InChIKey is KJOPBCCBFQIVQV-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-7(9(2)3)8(10)11-4/h6H,5H2,1-4H3/b7-6+.
What are the key properties of methyl (E)-2-(dimethylamino)pent-2-enoate?
methyl (E)-2-(dimethylamino)pent-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-(dimethylamino)pent-2-enoate is sourced from PubChem (CID 87424780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).