N-ethenyl-N-formylbenzamide

C10H9NO2 — CID 89232029

IUPACN-ethenyl-N-formylbenzamide
SMILESC=CN(C=O)C(=O)c1ccccc1
InChIInChI=1S/C10H9NO2/c1-2-11(8-12)10(13)9-6-4-3-5-7-9/h2-8H,1H2
InChIKeyPMDLXAIJIDEWIV-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.43
Rot. Bonds3

About N-ethenyl-N-formylbenzamide

N-ethenyl-N-formylbenzamide (PubChem CID 89232029) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-ethenyl-N-formylbenzamide.

Molecular Properties

Compound NameN-ethenyl-N-formylbenzamide
PubChem CID89232029
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC NameN-ethenyl-N-formylbenzamide
SMILESC=CN(C=O)C(=O)c1ccccc1
InChIInChI=1S/C10H9NO2/c1-2-11(8-12)10(13)9-6-4-3-5-7-9/h2-8H,1H2
InChIKeyPMDLXAIJIDEWIV-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102012562
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CID 22377754
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CID 87090637
benzoic acid;formic acid
CID 175360098
benzoic acid;formic acid
CID 141027688
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-formylbenzamide?
The IUPAC name of N-ethenyl-N-formylbenzamide (CID 89232029) is N-ethenyl-N-formylbenzamide.
What is the SMILES notation for N-ethenyl-N-formylbenzamide?
The canonical SMILES for N-ethenyl-N-formylbenzamide is C=CN(C=O)C(=O)c1ccccc1.
What is the InChIKey of N-ethenyl-N-formylbenzamide?
The InChIKey is PMDLXAIJIDEWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-11(8-12)10(13)9-6-4-3-5-7-9/h2-8H,1H2.
What are the key properties of N-ethenyl-N-formylbenzamide?
N-ethenyl-N-formylbenzamide has a molecular weight of 175.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-formylbenzamide is sourced from PubChem (CID 89232029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).