benzaldehyde;formamide

C8H9NO2 — CID 87258384

IUPACbenzaldehyde;formamide
SMILESNC=O.O=Cc1ccccc1
InChIInChI=1S/C7H6O.CH3NO/c8-6-7-4-2-1-3-5-7;2-1-3/h1-6H;1H,(H2,2,3)
InChIKeyBSBNNYLXJJGNIW-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.60
Rot. Bonds1

About benzaldehyde;formamide

benzaldehyde;formamide (PubChem CID 87258384) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is benzaldehyde;formamide.

Molecular Properties

Compound Namebenzaldehyde;formamide
PubChem CID87258384
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namebenzaldehyde;formamide
SMILESNC=O.O=Cc1ccccc1
InChIInChI=1S/C7H6O.CH3NO/c8-6-7-4-2-1-3-5-7;2-1-3/h1-6H;1H,(H2,2,3)
InChIKeyBSBNNYLXJJGNIW-UHFFFAOYSA-N
XLogP0.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzaldehyde;formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;formamide?
The IUPAC name of benzaldehyde;formamide (CID 87258384) is benzaldehyde;formamide.
What is the SMILES notation for benzaldehyde;formamide?
The canonical SMILES for benzaldehyde;formamide is NC=O.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;formamide?
The InChIKey is BSBNNYLXJJGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.CH3NO/c8-6-7-4-2-1-3-5-7;2-1-3/h1-6H;1H,(H2,2,3).
What are the key properties of benzaldehyde;formamide?
benzaldehyde;formamide has a molecular weight of 151.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;formamide is sourced from PubChem (CID 87258384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).