N-[4-(2,3-dioxopropyl)phenyl]formamide

C10H9NO3 — CID 86346333

IUPACN-[4-(2,3-dioxopropyl)phenyl]formamide
SMILESO=CNc1ccc(CC(=O)C=O)cc1
InChIInChI=1S/C10H9NO3/c12-6-10(14)5-8-1-3-9(4-2-8)11-7-13/h1-4,6-7H,5H2,(H,11,13)
InChIKeyHNZIUOPAYINHCT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.57
Rot. Bonds5

About N-[4-(2,3-dioxopropyl)phenyl]formamide

N-[4-(2,3-dioxopropyl)phenyl]formamide (PubChem CID 86346333) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-[4-(2,3-dioxopropyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(2,3-dioxopropyl)phenyl]formamide
PubChem CID86346333
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC NameN-[4-(2,3-dioxopropyl)phenyl]formamide
SMILESO=CNc1ccc(CC(=O)C=O)cc1
InChIInChI=1S/C10H9NO3/c12-6-10(14)5-8-1-3-9(4-2-8)11-7-13/h1-4,6-7H,5H2,(H,11,13)
InChIKeyHNZIUOPAYINHCT-UHFFFAOYSA-N
XLogP0.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formamidophenyl)ethaneperoxoic acid
CID 58762024
3-(4-iodophenyl)-2-oxopropanal
CID 19048059
2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate
CID 54414116
N-(4-formylphenyl)formamide
CID 15314216
4-ethyl-N-[1-(4-formamidophenyl)ethenyl]benzamide
CID 143052531
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
N-[4-(propoxymethyl)phenyl]formamide
CID 155742417
N-(4-formamidophenyl)-2,2-dimethylpropanamide
CID 64992582
benzyl 4-formamidobenzoate
CID 100979442
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
ethane;N-(4-methylphenyl)formamide
CID 142066401
N-(4-bromophenyl)formamide;methane
CID 163289567

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dioxopropyl)phenyl]formamide?
The IUPAC name of N-[4-(2,3-dioxopropyl)phenyl]formamide (CID 86346333) is N-[4-(2,3-dioxopropyl)phenyl]formamide.
What is the SMILES notation for N-[4-(2,3-dioxopropyl)phenyl]formamide?
The canonical SMILES for N-[4-(2,3-dioxopropyl)phenyl]formamide is O=CNc1ccc(CC(=O)C=O)cc1.
What is the InChIKey of N-[4-(2,3-dioxopropyl)phenyl]formamide?
The InChIKey is HNZIUOPAYINHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-6-10(14)5-8-1-3-9(4-2-8)11-7-13/h1-4,6-7H,5H2,(H,11,13).
What are the key properties of N-[4-(2,3-dioxopropyl)phenyl]formamide?
N-[4-(2,3-dioxopropyl)phenyl]formamide has a molecular weight of 191.19 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dioxopropyl)phenyl]formamide is sourced from PubChem (CID 86346333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).