N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide

C10H15NO2 — CID 143576065

IUPACN-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC1C=CC(CCC(=O)NO)=CC1
InChIInChI=1S/C10H15NO2/c1-8-2-4-9(5-3-8)6-7-10(12)11-13/h2,4-5,8,13H,3,6-7H2,1H3,(H,11,12)
InChIKeyUHTYZMKDUIMIDY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.79
Rot. Bonds3

About N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide

N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide (PubChem CID 143576065) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
PubChem CID143576065
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC1C=CC(CCC(=O)NO)=CC1
InChIInChI=1S/C10H15NO2/c1-8-2-4-9(5-3-8)6-7-10(12)11-13/h2,4-5,8,13H,3,6-7H2,1H3,(H,11,12)
InChIKeyUHTYZMKDUIMIDY-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
The IUPAC name of N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide (CID 143576065) is N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide is CC1C=CC(CCC(=O)NO)=CC1.
What is the InChIKey of N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
The InChIKey is UHTYZMKDUIMIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-2-4-9(5-3-8)6-7-10(12)11-13/h2,4-5,8,13H,3,6-7H2,1H3,(H,11,12).
What are the key properties of N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide has a molecular weight of 181.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide is sourced from PubChem (CID 143576065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).