methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate

C15H25NO2 — CID 142016184

IUPACmethanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1CC2CCC12.[H]N=C
InChIInChI=1S/C14H22O2.CH3N/c1-16-14(15)7-5-3-2-4-6-11-10-12-8-9-13(11)12;1-2/h2,4,11-13H,3,5-10H2,1H3;2H,1H2/b4-2-;
InChIKeyPRUIRXBPIKSAIJ-MKHFZPSSSA-N
MW251.37 g/mol
LogP3.59
Rot. Bonds6

About methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate

methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate (PubChem CID 142016184) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate.

Molecular Properties

Compound Namemethanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate
PubChem CID142016184
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namemethanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1CC2CCC12.[H]N=C
InChIInChI=1S/C14H22O2.CH3N/c1-16-14(15)7-5-3-2-4-6-11-10-12-8-9-13(11)12;1-2/h2,4,11-13H,3,5-10H2,1H3;2H,1H2/b4-2-;
InChIKeyPRUIRXBPIKSAIJ-MKHFZPSSSA-N
XLogP3.59
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-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 7-[(1S,2R)-2-formylcyclopentyl]hept-5-enoate
CID 57105862
methyl (Z)-7-[(1R,2R,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoate
CID 13240967
methyl (Z)-7-[(1R,2S,4S)-3-(propoxyamino)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
CID 91033974
methyl (Z)-7-[(1R,2R)-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]hept-5-enoate
CID 101083438
methyl 8-(2-oct-2-enylcyclopropyl)octanoate
CID 69201092
methyl 8-[2-[(Z)-oct-2-enyl]cyclopropyl]octanoate
CID 69201087
methyl (5Z,8Z,10S)-10-hydroxy-10-[(1R,2R)-2-[(Z)-oct-2-enyl]cyclopropyl]deca-5,8-dienoate
CID 121492086
methyl (5E)-undeca-5,10-dienoate
CID 102118350
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl dec-5-enoate
CID 54534253
methyl undeca-5,9-dienoate
CID 57288687
dimethyl (E)-triacont-15-enedioate
CID 10767955

Frequently Asked Questions

What is the IUPAC name of methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate?
The IUPAC name of methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate (CID 142016184) is methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate.
What is the SMILES notation for methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate?
The canonical SMILES for methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate is COC(=O)CCC/C=C\CC1CC2CCC12.[H]N=C.
What is the InChIKey of methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate?
The InChIKey is PRUIRXBPIKSAIJ-MKHFZPSSSA-N. The full InChI is InChI=1S/C14H22O2.CH3N/c1-16-14(15)7-5-3-2-4-6-11-10-12-8-9-13(11)12;1-2/h2,4,11-13H,3,5-10H2,1H3;2H,1H2/b4-2-;.
What are the key properties of methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate?
methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate has a molecular weight of 251.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;methyl (Z)-7-(2-bicyclo[2.2.0]hexanyl)hept-5-enoate is sourced from PubChem (CID 142016184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).