[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate

C17H23NO2 — CID 11184901

IUPAC[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
SMILESCC(=O)O/N=C(\CCC=C(C)C)CCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-14(2)8-7-11-17(18-20-15(3)19)13-12-16-9-5-4-6-10-16/h4-6,8-10H,7,11-13H2,1-3H3/b18-17+
InChIKeyIILURLGWJYKFRM-ISLYRVAYSA-N
MW273.38 g/mol
LogP4.28
Rot. Bonds7

About [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate

[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate (PubChem CID 11184901) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate.

Molecular Properties

Compound Name[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
PubChem CID11184901
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
SMILESCC(=O)O/N=C(\CCC=C(C)C)CCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-14(2)8-7-11-17(18-20-15(3)19)13-12-16-9-5-4-6-10-16/h4-6,8-10H,7,11-13H2,1-3H3/b18-17+
InChIKeyIILURLGWJYKFRM-ISLYRVAYSA-N
XLogP4.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
CID 101154943
[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate
CID 101154947
[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate
CID 11738218
[(Z)-(6-methyl-1-phenylhept-6-en-3-ylidene)amino] acetate
CID 102207798
methyl [(E)-[(E)-1-phenyloct-6-en-3-ylidene]amino] carbonate
CID 11311896
[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
CID 87328065
[(E)-1-phenylhept-6-en-3-ylideneamino] methanesulfonate
CID 15370342
benzyl acetate;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 67892441
[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonyl-dimethyl-(2-phenylethyl)azanium bromide
CID 140987342
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
ethyl [(E)-4-phenylbutan-2-ylideneamino] carbonate
CID 15527889

Frequently Asked Questions

What is the IUPAC name of [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate?
The IUPAC name of [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate (CID 11184901) is [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate.
What is the SMILES notation for [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate?
The canonical SMILES for [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate is CC(=O)O/N=C(\CCC=C(C)C)CCc1ccccc1.
What is the InChIKey of [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate?
The InChIKey is IILURLGWJYKFRM-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(2)8-7-11-17(18-20-15(3)19)13-12-16-9-5-4-6-10-16/h4-6,8-10H,7,11-13H2,1-3H3/b18-17+.
What are the key properties of [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate?
[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate has a molecular weight of 273.38 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate is sourced from PubChem (CID 11184901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).