methyl 2-methylidene-5-propyliminopent-3-enoate

C10H15NO2 — CID 123424378

IUPACmethyl 2-methylidene-5-propyliminopent-3-enoate
SMILESC=C(C=C/C=N/CCC)C(=O)OC
InChIInChI=1S/C10H15NO2/c1-4-7-11-8-5-6-9(2)10(12)13-3/h5-6,8H,2,4,7H2,1,3H3/b6-5?,11-8+
InChIKeyHWCDOGOKWSKFMM-SHZBLTAYSA-N
MW181.23 g/mol
LogP1.75
Rot. Bonds5

About methyl 2-methylidene-5-propyliminopent-3-enoate

methyl 2-methylidene-5-propyliminopent-3-enoate (PubChem CID 123424378) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl 2-methylidene-5-propyliminopent-3-enoate.

Molecular Properties

Compound Namemethyl 2-methylidene-5-propyliminopent-3-enoate
PubChem CID123424378
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl 2-methylidene-5-propyliminopent-3-enoate
SMILESC=C(C=C/C=N/CCC)C(=O)OC
InChIInChI=1S/C10H15NO2/c1-4-7-11-8-5-6-9(2)10(12)13-3/h5-6,8H,2,4,7H2,1,3H3/b6-5?,11-8+
InChIKeyHWCDOGOKWSKFMM-SHZBLTAYSA-N
XLogP1.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
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 2-methoxy-3H-azepine-6-carboxylate
CID 13225919
methyl (E,2Z)-5-(2-fluoroethylimino)-2-(hydroxymethylidene)pent-3-enoate
CID 168972185
ethyl 2H-pyridin-2-ide-5-carboxylate;tungsten
CID 57855547
Methyl azocine-4-carboxylate
CID 70075217
methyl (1Z,4Z,6E)-3-benzazocine-6-carboxylate
CID 87212401
(Z)-2-methylidene-5-methyliminopent-3-enoic acid
CID 88264885
[(Z)-5-imino-2-methylidenepent-3-enyl] prop-2-enoate
CID 89633580
methyl (3Z)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyridine-5-carboxylate
CID 90005211
methyl (Z,5E)-5-hydroxyimino-2-propan-2-ylidenepent-3-enoate
CID 90273769
methyl (2E,4Z,6E)-6-hydroxyimino-2,3-dimethylhexa-2,4-dienoate
CID 117919243
dimethyl (Z)-2-[(Z,3E)-3-hydroxyiminoprop-1-enyl]-3-methylbut-2-enedioate
CID 122660918
methyl (2E,4Z)-2-methyl-6-methyliminohexa-2,4-dienoate
CID 122677621

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-5-propyliminopent-3-enoate?
The IUPAC name of methyl 2-methylidene-5-propyliminopent-3-enoate (CID 123424378) is methyl 2-methylidene-5-propyliminopent-3-enoate.
What is the SMILES notation for methyl 2-methylidene-5-propyliminopent-3-enoate?
The canonical SMILES for methyl 2-methylidene-5-propyliminopent-3-enoate is C=C(C=C/C=N/CCC)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-5-propyliminopent-3-enoate?
The InChIKey is HWCDOGOKWSKFMM-SHZBLTAYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-7-11-8-5-6-9(2)10(12)13-3/h5-6,8H,2,4,7H2,1,3H3/b6-5?,11-8+.
What are the key properties of methyl 2-methylidene-5-propyliminopent-3-enoate?
methyl 2-methylidene-5-propyliminopent-3-enoate has a molecular weight of 181.23 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-5-propyliminopent-3-enoate is sourced from PubChem (CID 123424378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).