methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate

C8H11NO3 — CID 144606018

IUPACmethyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate
SMILES[H]/N=C(/C=C\C(=C)C(=O)OC)OC
InChIInChI=1S/C8H11NO3/c1-6(8(10)12-3)4-5-7(9)11-2/h4-5,9H,1H2,2-3H3/b5-4-,9-7-
InChIKeyGRQHTOYCPZBNCZ-PHSHQRSZSA-N
MW169.18 g/mol
LogP0.90
Rot. Bonds3

About methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate

methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate (PubChem CID 144606018) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate
PubChem CID144606018
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate
SMILES[H]/N=C(/C=C\C(=C)C(=O)OC)OC
InChIInChI=1S/C8H11NO3/c1-6(8(10)12-3)4-5-7(9)11-2/h4-5,9H,1H2,2-3H3/b5-4-,9-7-
InChIKeyGRQHTOYCPZBNCZ-PHSHQRSZSA-N
XLogP0.90
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (4E)-4-ethylidene-5-fluoro-3-iminocyclohexa-1,5-diene-1-carboxylate
CID 144524458
methyl (E,2Z)-3-fluoro-2-(2-iminoethylidene)pent-3-enoate
CID 169922946
[(Z)-1-methoxyethylideneamino] (Z)-2-methylidenepent-3-enoate
CID 60039914
(1-Methoxyethylideneamino) 2-methylidenepent-3-enoate
CID 72629409
Methyl 3,4-diiminocyclohexa-1,5-diene-1-carboxylate
CID 89322291
Methyl 5-amino-2-(3-aminoprop-1-enyl)-4-iminopent-2-enoate
CID 90984314
Methyl 4-iminocyclohexa-1,2,5-triene-1-carboxylate
CID 123302612
methyl (Z,2E)-2-(2-ethyliminoethylidene)pent-3-enoate
CID 124133394
methyl (Z,2E)-2-(2-methyliminoethylidene)pent-3-enoate
CID 124133595
[(2E,3Z)-2-ethylidene-5-iminohepta-3,6-dienyl] acetate
CID 134388134
methyl (Z)-5-imino-4-methyl-2-methylidenehex-3-enoate
CID 135175009
Ethyl 4-iminocyclohexa-1,5-diene-1-carboxylate
CID 142650575

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate?
The IUPAC name of methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate (CID 144606018) is methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate.
What is the SMILES notation for methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate?
The canonical SMILES for methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate is [H]/N=C(/C=C\C(=C)C(=O)OC)OC.
What is the InChIKey of methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate?
The InChIKey is GRQHTOYCPZBNCZ-PHSHQRSZSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(8(10)12-3)4-5-7(9)11-2/h4-5,9H,1H2,2-3H3/b5-4-,9-7-.
What are the key properties of methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate?
methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate has a molecular weight of 169.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-imino-5-methoxy-2-methylidenepent-3-enoate is sourced from PubChem (CID 144606018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).