benzylideneurea

C8H8N2O — CID 57079485

IUPACbenzylideneurea
SMILESNC(=O)N=Cc1ccccc1
InChIInChI=1S/C8H8N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKeyCCROKDKKHBEXAX-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.18
Rot. Bonds1

About benzylideneurea

benzylideneurea (PubChem CID 57079485) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is benzylideneurea.

Molecular Properties

Compound Namebenzylideneurea
PubChem CID57079485
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Namebenzylideneurea
SMILESNC(=O)N=Cc1ccccc1
InChIInChI=1S/C8H8N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-6H,(H2,9,11)
InChIKeyCCROKDKKHBEXAX-UHFFFAOYSA-N
XLogP1.18
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 benzylideneurea?
The IUPAC name of benzylideneurea (CID 57079485) is benzylideneurea.
What is the SMILES notation for benzylideneurea?
The canonical SMILES for benzylideneurea is NC(=O)N=Cc1ccccc1.
What is the InChIKey of benzylideneurea?
The InChIKey is CCROKDKKHBEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-6H,(H2,9,11).
What are the key properties of benzylideneurea?
benzylideneurea has a molecular weight of 148.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylideneurea is sourced from PubChem (CID 57079485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).