N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine

C7H11NO — CID 145306811

IUPACN-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
SMILESCC1C=CC(NO)=CC1
InChIInChI=1S/C7H11NO/c1-6-2-4-7(8-9)5-3-6/h2,4-6,8-9H,3H2,1H3
InChIKeyWETGIVHLWZHDCU-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.45
Rot. Bonds1

About N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine

N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine (PubChem CID 145306811) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
PubChem CID145306811
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
SMILESCC1C=CC(NO)=CC1
InChIInChI=1S/C7H11NO/c1-6-2-4-7(8-9)5-3-6/h2,4-6,8-9H,3H2,1H3
InChIKeyWETGIVHLWZHDCU-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine?
The IUPAC name of N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine (CID 145306811) is N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine.
What is the SMILES notation for N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine?
The canonical SMILES for N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine is CC1C=CC(NO)=CC1.
What is the InChIKey of N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine?
The InChIKey is WETGIVHLWZHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-2-4-7(8-9)5-3-6/h2,4-6,8-9H,3H2,1H3.
What are the key properties of N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine?
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine has a molecular weight of 125.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine is sourced from PubChem (CID 145306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).