N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide

C8H9NO2 — CID 175730763

IUPACN-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide
SMILESC=C1C=CC=CC1C(=O)NO
InChIInChI=1S/C8H9NO2/c1-6-4-2-3-5-7(6)8(10)9-11/h2-5,7,11H,1H2,(H,9,10)
InChIKeyIRKDAVXKWBQIMM-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.79
Rot. Bonds1

About N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide

N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide (PubChem CID 175730763) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide
PubChem CID175730763
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide
SMILESC=C1C=CC=CC1C(=O)NO
InChIInChI=1S/C8H9NO2/c1-6-4-2-3-5-7(6)8(10)9-11/h2-5,7,11H,1H2,(H,9,10)
InChIKeyIRKDAVXKWBQIMM-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
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

(4R,5E)-N-hydroxy-4-methylocta-5,7-dienamide
CID 15930225
Dihydrobenzoylamine
CID 18942709
2-Oxomethylenebenzamide
CID 129851024
4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide
CID 88968664
4-Methylcyclohexa-2,4-diene-1-carboxamide
CID 19593437
2-Cyclohexa-1,5-dien-1-ylacetamide
CID 21864846
2,3-Dihydronaphthalene-2-carboxamide
CID 23135103
N-deuterio-N-hydroxy-2-(2-methylbenzene-6-id-1-yl)acetamide;tungsten
CID 58805984
4-Propylcyclohexa-2,4-diene-1-carboxamide
CID 89176432
(6E)-6-ethylidenecyclohexa-2,4-diene-1-carboxamide
CID 89811507
(1S)-cyclohexa-2,4-diene-1-carboxamide
CID 90989658
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide (CID 175730763) is N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide is C=C1C=CC=CC1C(=O)NO.
What is the InChIKey of N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IRKDAVXKWBQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-4-2-3-5-7(6)8(10)9-11/h2-5,7,11H,1H2,(H,9,10).
What are the key properties of N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide has a molecular weight of 151.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 175730763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).