methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate

C7H11NO3 — CID 6443387

IUPACmethyl (Z)-4-(ethylamino)-4-oxobut-2-enoate
SMILESCCNC(=O)/C=C\C(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-8-6(9)4-5-7(10)11-2/h4-5H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeyGYKIRBDPNRCHNO-PLNGDYQASA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds3

About methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate

methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate (PubChem CID 6443387) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(ethylamino)-4-oxobut-2-enoate
PubChem CID6443387
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (Z)-4-(ethylamino)-4-oxobut-2-enoate
SMILESCCNC(=O)/C=C\C(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-8-6(9)4-5-7(10)11-2/h4-5H,3H2,1-2H3,(H,8,9)/b5-4-
InChIKeyGYKIRBDPNRCHNO-PLNGDYQASA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate?
The IUPAC name of methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate (CID 6443387) is methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate?
The canonical SMILES for methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate is CCNC(=O)/C=C\C(=O)OC.
What is the InChIKey of methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate?
The InChIKey is GYKIRBDPNRCHNO-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-8-6(9)4-5-7(10)11-2/h4-5H,3H2,1-2H3,(H,8,9)/b5-4-.
What are the key properties of methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate?
methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(ethylamino)-4-oxobut-2-enoate is sourced from PubChem (CID 6443387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).