1-(5-methylfuran-2-yl)-N-phenylmethanimine

C12H11NO — CID 12516660

IUPAC1-(5-methylfuran-2-yl)-N-phenylmethanimine
SMILESCc1ccc(/C=N/c2ccccc2)o1
InChIInChI=1S/C12H11NO/c1-10-7-8-12(14-10)9-13-11-5-3-2-4-6-11/h2-9H,1H3/b13-9+
InChIKeyNETVKQLVKYBUBQ-UKTHLTGXSA-N
MW185.23 g/mol
LogP3.34
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-N-phenylmethanimine

1-(5-methylfuran-2-yl)-N-phenylmethanimine (PubChem CID 12516660) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-phenylmethanimine
PubChem CID12516660
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-(5-methylfuran-2-yl)-N-phenylmethanimine
SMILESCc1ccc(/C=N/c2ccccc2)o1
InChIInChI=1S/C12H11NO/c1-10-7-8-12(14-10)9-13-11-5-3-2-4-6-11/h2-9H,1H3/b13-9+
InChIKeyNETVKQLVKYBUBQ-UKTHLTGXSA-N
XLogP3.34
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.34
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-phenylmethanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-phenylmethanimine (CID 12516660) is 1-(5-methylfuran-2-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-phenylmethanimine is Cc1ccc(/C=N/c2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-phenylmethanimine?
The InChIKey is NETVKQLVKYBUBQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-7-8-12(14-10)9-13-11-5-3-2-4-6-11/h2-9H,1H3/b13-9+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-phenylmethanimine?
1-(5-methylfuran-2-yl)-N-phenylmethanimine has a molecular weight of 185.23 g/mol, XLogP of 3.34, 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-phenylmethanimine is sourced from PubChem (CID 12516660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).