N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide

C7H9NO2 — CID 22887606

IUPACN-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
SMILESCN(O)C(=O)C1=CC=CC1
InChIInChI=1S/C7H9NO2/c1-8(10)7(9)6-4-2-3-5-6/h2-4,10H,5H2,1H3
InChIKeyMINAGNPDXRFTFR-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.72
Rot. Bonds1

About N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide

N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 22887606) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
PubChem CID22887606
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC NameN-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
SMILESCN(O)C(=O)C1=CC=CC1
InChIInChI=1S/C7H9NO2/c1-8(10)7(9)6-4-2-3-5-6/h2-4,10H,5H2,1H3
InChIKeyMINAGNPDXRFTFR-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
2,3-di(cyclopenta-1,3-dien-1-yl)but-2-enoic acid
CID 54527252
1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
CID 15514432
3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
CID 59440444
N-(1-hydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141292944
cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
CID 91339514
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide
CID 102277327
cyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 174365369
2-(cyclopenta-1,3-diene-1-carbonylamino)ethyl-ethyl-dimethylazanium
CID 102391499

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide (CID 22887606) is N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide is CN(O)C(=O)C1=CC=CC1.
What is the InChIKey of N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is MINAGNPDXRFTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8(10)7(9)6-4-2-3-5-6/h2-4,10H,5H2,1H3.
What are the key properties of N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide?
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 139.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 22887606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).