1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one

C15H15NO2 — CID 157308513

IUPAC1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one
SMILESCCC(=O)C/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H15NO2/c1-2-13(17)10-16-11-14-8-9-15(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b16-11+
InChIKeyICQQGNHUMQMDJD-LFIBNONCSA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds5

About 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one

1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one (PubChem CID 157308513) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one.

Molecular Properties

Compound Name1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one
PubChem CID157308513
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one
SMILESCCC(=O)C/N=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H15NO2/c1-2-13(17)10-16-11-14-8-9-15(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b16-11+
InChIKeyICQQGNHUMQMDJD-LFIBNONCSA-N
XLogP3.34
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-3-[(E)-(5-phenylfuran-2-yl)methylideneamino]urea
CID 22299686
N-methoxy-1-(5-phenylfuran-2-yl)methanimine
CID 23242299
1-[4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]phenyl]ethanone
CID 50884928
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile
CID 126029032
2-phenyl-5-[(Z)-2-(5-phenylfuran-2-yl)ethenyl]furan
CID 11381399
2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
CID 148883740
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one?
The IUPAC name of 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one (CID 157308513) is 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one.
What is the SMILES notation for 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one?
The canonical SMILES for 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one is CCC(=O)C/N=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one?
The InChIKey is ICQQGNHUMQMDJD-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-13(17)10-16-11-14-8-9-15(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b16-11+.
What are the key properties of 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one?
1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one has a molecular weight of 241.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenylfuran-2-yl)methylideneamino]butan-2-one is sourced from PubChem (CID 157308513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).