[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate

C15H19NO2 — CID 101154947

IUPAC[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate
SMILESC=CCC/C(CCc1ccccc1)=N/OC(C)=O
InChIInChI=1S/C15H19NO2/c1-3-4-10-15(16-18-13(2)17)12-11-14-8-6-5-7-9-14/h3,5-9H,1,4,10-12H2,2H3/b16-15-
InChIKeySMBTWZLPWFIZDU-NXVVXOECSA-N
MW245.32 g/mol
LogP3.50
Rot. Bonds7

About [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate

[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate (PubChem CID 101154947) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate
PubChem CID101154947
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate
SMILESC=CCC/C(CCc1ccccc1)=N/OC(C)=O
InChIInChI=1S/C15H19NO2/c1-3-4-10-15(16-18-13(2)17)12-11-14-8-6-5-7-9-14/h3,5-9H,1,4,10-12H2,2H3/b16-15-
InChIKeySMBTWZLPWFIZDU-NXVVXOECSA-N
XLogP3.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.50
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
[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
CID 11184901
[(Z)-(6-methyl-1-phenylhept-6-en-3-ylidene)amino] acetate
CID 102207798
[(E)-1-phenylhept-6-en-3-ylideneamino] methanesulfonate
CID 15370342
methyl [(E)-[(E)-1-phenyloct-6-en-3-ylidene]amino] carbonate
CID 11311896
[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate
CID 11738218
2-[(E)-1-phenylhept-6-en-3-ylideneamino]oxybenzonitrile
CID 177463289
4-phenylbutan-2-one;prop-1-ene
CID 166128425
[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
CID 87328065
(E)-2-methyl-5-phenyl-3-prop-2-enoxypent-2-enoic acid
CID 101391399
4-(4-but-3-enylphenyl)butan-2-one
CID 102388020
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate?
The IUPAC name of [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate (CID 101154947) is [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate.
What is the SMILES notation for [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate?
The canonical SMILES for [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate is C=CCC/C(CCc1ccccc1)=N/OC(C)=O.
What is the InChIKey of [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate?
The InChIKey is SMBTWZLPWFIZDU-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-10-15(16-18-13(2)17)12-11-14-8-6-5-7-9-14/h3,5-9H,1,4,10-12H2,2H3/b16-15-.
What are the key properties of [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate?
[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate has a molecular weight of 245.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylhept-6-en-3-ylideneamino] acetate is sourced from PubChem (CID 101154947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).