1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine

C16H13NO — CID 681313

IUPAC1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine
SMILESCc1ccc(/C=N/c2ccc3ccccc3c2)o1
InChIInChI=1S/C16H13NO/c1-12-6-9-16(18-12)11-17-15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3/b17-11+
InChIKeyXNEKSTGRHVVNMC-GZTJUZNOSA-N
MW235.29 g/mol
LogP4.49
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine

1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine (PubChem CID 681313) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine
PubChem CID681313
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine
SMILESCc1ccc(/C=N/c2ccc3ccccc3c2)o1
InChIInChI=1S/C16H13NO/c1-12-6-9-16(18-12)11-17-15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3/b17-11+
InChIKeyXNEKSTGRHVVNMC-GZTJUZNOSA-N
XLogP4.49
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine (CID 681313) is 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine is Cc1ccc(/C=N/c2ccc3ccccc3c2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine?
The InChIKey is XNEKSTGRHVVNMC-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-6-9-16(18-12)11-17-15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3/b17-11+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine?
1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine has a molecular weight of 235.29 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 681313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).