3-benzylimino-1-naphthalen-2-ylpropan-1-one

C20H17NO — CID 91463586

IUPAC3-benzylimino-1-naphthalen-2-ylpropan-1-one
SMILESO=C(C/C=N/Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO/c22-20(12-13-21-15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,13-14H,12,15H2/b21-13+
InChIKeyMABUOVXWDQNDAV-FYJGNVAPSA-N
MW287.36 g/mol
LogP4.68
Rot. Bonds5

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

3-benzylimino-1-naphthalen-2-ylpropan-1-one (PubChem CID 91463586) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-benzylimino-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-benzylimino-1-naphthalen-2-ylpropan-1-one
PubChem CID91463586
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name3-benzylimino-1-naphthalen-2-ylpropan-1-one
SMILESO=C(C/C=N/Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO/c22-20(12-13-21-15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,13-14H,12,15H2/b21-13+
InChIKeyMABUOVXWDQNDAV-FYJGNVAPSA-N
XLogP4.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.68
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-ethylimino-1-naphthalen-2-ylpropan-1-one
CID 91601607
3-butylimino-1-naphthalen-2-ylpropan-1-one
CID 91523483
N-benzyl-2-naphthalen-2-ylethanimine
CID 139964644
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696
naphthalene-2-carboxylic acid
CID 175967775
CID 87197273
CID 87197273
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660

Frequently Asked Questions

What is the IUPAC name of 3-benzylimino-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-benzylimino-1-naphthalen-2-ylpropan-1-one (CID 91463586) is 3-benzylimino-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-benzylimino-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-benzylimino-1-naphthalen-2-ylpropan-1-one is O=C(C/C=N/Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-benzylimino-1-naphthalen-2-ylpropan-1-one?
The InChIKey is MABUOVXWDQNDAV-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H17NO/c22-20(12-13-21-15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,13-14H,12,15H2/b21-13+.
What are the key properties of 3-benzylimino-1-naphthalen-2-ylpropan-1-one?
3-benzylimino-1-naphthalen-2-ylpropan-1-one has a molecular weight of 287.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimino-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 91463586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).