1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone

C13H17NO2 — CID 139928929

IUPAC1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone
SMILESCCC/C(C)=N/Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO2/c1-4-5-10(2)14-16-13-8-6-12(7-9-13)11(3)15/h6-9H,4-5H2,1-3H3/b14-10+
InChIKeyNOKFDWXZOWXUGJ-GXDHUFHOSA-N
MW219.28 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone

1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone (PubChem CID 139928929) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone
PubChem CID139928929
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone
SMILESCCC/C(C)=N/Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO2/c1-4-5-10(2)14-16-13-8-6-12(7-9-13)11(3)15/h6-9H,4-5H2,1-3H3/b14-10+
InChIKeyNOKFDWXZOWXUGJ-GXDHUFHOSA-N
XLogP3.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-pentan-2-ylideneamino]oxybenzonitrile
CID 139928939
1-(4-acetylphenoxy)heptan-4-one
CID 155105083
1-[4-(iodomethoxy)phenyl]ethanone
CID 118233287
(1-chlorobutylideneamino) N-(4-acetylphenyl)carbamate
CID 3716356
butanoyl 4-acetylbenzoate
CID 90972427
(4-acetylphenyl) hexanoate
CID 12627444
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(4-sulfanyloxyphenyl)ethanone
CID 87171019
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
1-(4-acetylphenoxy)nonadecan-2-one
CID 70227901

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone?
The IUPAC name of 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone (CID 139928929) is 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone is CCC/C(C)=N/Oc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone?
The InChIKey is NOKFDWXZOWXUGJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-5-10(2)14-16-13-8-6-12(7-9-13)11(3)15/h6-9H,4-5H2,1-3H3/b14-10+.
What are the key properties of 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone?
1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone has a molecular weight of 219.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-pentan-2-ylideneamino]oxyphenyl]ethanone is sourced from PubChem (CID 139928929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).