methyl 2-(2-methoxyphenyl)iminohept-6-enoate

C15H19NO3 — CID 24864421

IUPACmethyl 2-(2-methoxyphenyl)iminohept-6-enoate
SMILESC=CCCC/C(=N\c1ccccc1OC)C(=O)OC
InChIInChI=1S/C15H19NO3/c1-4-5-6-10-13(15(17)19-3)16-12-9-7-8-11-14(12)18-2/h4,7-9,11H,1,5-6,10H2,2-3H3/b16-13+
InChIKeyDSCUJCHLIGHYRI-DTQAZKPQSA-N
MW261.32 g/mol
LogP3.30
Rot. Bonds7

About methyl 2-(2-methoxyphenyl)iminohept-6-enoate

methyl 2-(2-methoxyphenyl)iminohept-6-enoate (PubChem CID 24864421) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)iminohept-6-enoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)iminohept-6-enoate
PubChem CID24864421
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-(2-methoxyphenyl)iminohept-6-enoate
SMILESC=CCCC/C(=N\c1ccccc1OC)C(=O)OC
InChIInChI=1S/C15H19NO3/c1-4-5-6-10-13(15(17)19-3)16-12-9-7-8-11-14(12)18-2/h4,7-9,11H,1,5-6,10H2,2-3H3/b16-13+
InChIKeyDSCUJCHLIGHYRI-DTQAZKPQSA-N
XLogP3.30
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

dimethyl 2-(2-methoxyphenyl)iminobutanedioate
CID 90950078
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
dimethyl 2-(3-methoxy-2-methylphenyl)iminobutanedioate
CID 91245516
N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
CID 71802876
1-but-3-enoxy-2-methoxybenzene
CID 56629510
dimethyl 2-(2-fluorophenyl)iminobutanedioate
CID 123352869
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one
CID 72551323
1-methoxy-1-phenylhept-6-en-2-one
CID 116751531
dimethyl 2-[5-[(1,4-dimethoxy-1,4-dioxobutan-2-ylidene)amino]naphthalen-1-yl]iminobutanedioate
CID 123804912

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)iminohept-6-enoate?
The IUPAC name of methyl 2-(2-methoxyphenyl)iminohept-6-enoate (CID 24864421) is methyl 2-(2-methoxyphenyl)iminohept-6-enoate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)iminohept-6-enoate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)iminohept-6-enoate is C=CCCC/C(=N\c1ccccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxyphenyl)iminohept-6-enoate?
The InChIKey is DSCUJCHLIGHYRI-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-5-6-10-13(15(17)19-3)16-12-9-7-8-11-14(12)18-2/h4,7-9,11H,1,5-6,10H2,2-3H3/b16-13+.
What are the key properties of methyl 2-(2-methoxyphenyl)iminohept-6-enoate?
methyl 2-(2-methoxyphenyl)iminohept-6-enoate has a molecular weight of 261.32 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)iminohept-6-enoate is sourced from PubChem (CID 24864421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).