N-(furan-2-ylmethylidene)benzamide

C12H9NO2 — CID 102256590

IUPACN-(furan-2-ylmethylidene)benzamide
SMILESO=C(/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C12H9NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-9H/b13-9+
InChIKeyFUWOARJFCOLBIF-UKTHLTGXSA-N
MW199.21 g/mol
LogP2.54
Rot. Bonds2

About N-(furan-2-ylmethylidene)benzamide

N-(furan-2-ylmethylidene)benzamide (PubChem CID 102256590) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(furan-2-ylmethylidene)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylidene)benzamide
PubChem CID102256590
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC NameN-(furan-2-ylmethylidene)benzamide
SMILESO=C(/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C12H9NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-9H/b13-9+
InChIKeyFUWOARJFCOLBIF-UKTHLTGXSA-N
XLogP2.54
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.54
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 N-(furan-2-ylmethylidene)benzamide?
The IUPAC name of N-(furan-2-ylmethylidene)benzamide (CID 102256590) is N-(furan-2-ylmethylidene)benzamide.
What is the SMILES notation for N-(furan-2-ylmethylidene)benzamide?
The canonical SMILES for N-(furan-2-ylmethylidene)benzamide is O=C(/N=C/c1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethylidene)benzamide?
The InChIKey is FUWOARJFCOLBIF-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-9H/b13-9+.
What are the key properties of N-(furan-2-ylmethylidene)benzamide?
N-(furan-2-ylmethylidene)benzamide has a molecular weight of 199.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylidene)benzamide is sourced from PubChem (CID 102256590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).