3-ethylimino-1-naphthalen-2-ylpropan-1-one

C15H15NO — CID 91601607

IUPAC3-ethylimino-1-naphthalen-2-ylpropan-1-one
SMILESCC/N=C/CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-2-16-10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,10-11H,2,9H2,1H3/b16-10+
InChIKeyMZOSMQUTZFHXMN-MHWRWJLKSA-N
MW225.29 g/mol
LogP3.50
Rot. Bonds4

About 3-ethylimino-1-naphthalen-2-ylpropan-1-one

3-ethylimino-1-naphthalen-2-ylpropan-1-one (PubChem CID 91601607) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethylimino-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-ethylimino-1-naphthalen-2-ylpropan-1-one
PubChem CID91601607
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-ethylimino-1-naphthalen-2-ylpropan-1-one
SMILESCC/N=C/CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-2-16-10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,10-11H,2,9H2,1H3/b16-10+
InChIKeyMZOSMQUTZFHXMN-MHWRWJLKSA-N
XLogP3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butylimino-1-naphthalen-2-ylpropan-1-one
CID 91523483
3-benzylimino-1-naphthalen-2-ylpropan-1-one
CID 91463586
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
CID 177460457

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-ethylimino-1-naphthalen-2-ylpropan-1-one (CID 91601607) is 3-ethylimino-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-ethylimino-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-ethylimino-1-naphthalen-2-ylpropan-1-one is CC/N=C/CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-ethylimino-1-naphthalen-2-ylpropan-1-one?
The InChIKey is MZOSMQUTZFHXMN-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-16-10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,10-11H,2,9H2,1H3/b16-10+.
What are the key properties of 3-ethylimino-1-naphthalen-2-ylpropan-1-one?
3-ethylimino-1-naphthalen-2-ylpropan-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 91601607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).