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

C7H9NO2 — CID 144575502

IUPACmethyl (Z)-5-imino-2-methylidenepent-3-enoate
SMILES[H]/N=C/C=C\C(=C)C(=O)OC
InChIInChI=1S/C7H9NO2/c1-6(4-3-5-8)7(9)10-2/h3-5,8H,1H2,2H3/b4-3-,8-5+
InChIKeyCBDQKVGFJSUNHG-HMRFFJRGSA-N
MW139.15 g/mol
LogP0.92
Rot. Bonds3

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

methyl (Z)-5-imino-2-methylidenepent-3-enoate (PubChem CID 144575502) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is methyl (Z)-5-imino-2-methylidenepent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-imino-2-methylidenepent-3-enoate
PubChem CID144575502
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Namemethyl (Z)-5-imino-2-methylidenepent-3-enoate
SMILES[H]/N=C/C=C\C(=C)C(=O)OC
InChIInChI=1S/C7H9NO2/c1-6(4-3-5-8)7(9)10-2/h3-5,8H,1H2,2H3/b4-3-,8-5+
InChIKeyCBDQKVGFJSUNHG-HMRFFJRGSA-N
XLogP0.92
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,2Z)-3-fluoro-2-(2-iminoethylidene)pent-3-enoate
CID 169922946
[(Z)-5-imino-2-methylidenepent-3-enyl] prop-2-enoate
CID 89633580
methyl (Z,5E)-5-hydroxyimino-2-propan-2-ylidenepent-3-enoate
CID 90273769
Methyl 4-methanimidoylcyclohexa-1,5-diene-1-carboxylate
CID 91097680
Methyl 2-methylidene-5-propyliminopent-3-enoate
CID 123424378
Ethyl 2-methylidene-5-propyliminopent-3-enoate
CID 123596529
Methyl 5-butylimino-2-methylidenepent-3-enoate
CID 123781237
methyl (Z,2E)-2-(2-ethyliminoethylidene)pent-3-enoate
CID 124133394
methyl (Z,2E)-2-(2-methyliminoethylidene)pent-3-enoate
CID 124133595
methyl (E)-2-ethyl-4-iminobut-2-enoate
CID 130428002
methyl (E)-2-ethenyl-4-methyliminobut-2-enoate
CID 134266976
butyl-[(2Z)-4-methoxycarbonylpenta-2,4-dienylidene]azanium
CID 144413681

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-imino-2-methylidenepent-3-enoate?
The IUPAC name of methyl (Z)-5-imino-2-methylidenepent-3-enoate (CID 144575502) is methyl (Z)-5-imino-2-methylidenepent-3-enoate.
What is the SMILES notation for methyl (Z)-5-imino-2-methylidenepent-3-enoate?
The canonical SMILES for methyl (Z)-5-imino-2-methylidenepent-3-enoate is [H]/N=C/C=C\C(=C)C(=O)OC.
What is the InChIKey of methyl (Z)-5-imino-2-methylidenepent-3-enoate?
The InChIKey is CBDQKVGFJSUNHG-HMRFFJRGSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6(4-3-5-8)7(9)10-2/h3-5,8H,1H2,2H3/b4-3-,8-5+.
What are the key properties of methyl (Z)-5-imino-2-methylidenepent-3-enoate?
methyl (Z)-5-imino-2-methylidenepent-3-enoate has a molecular weight of 139.15 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-imino-2-methylidenepent-3-enoate is sourced from PubChem (CID 144575502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).