N-cyclohexa-2,4-dien-1-ylidenehydroxylamine

C6H7NO — CID 87478676

IUPACN-cyclohexa-2,4-dien-1-ylidenehydroxylamine
SMILESON=C1C=CC=CC1
InChIInChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-4,8H,5H2
InChIKeyCOFUQPNMLLLSLJ-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.33
Rot. Bonds

About N-cyclohexa-2,4-dien-1-ylidenehydroxylamine

N-cyclohexa-2,4-dien-1-ylidenehydroxylamine (PubChem CID 87478676) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylidenehydroxylamine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylidenehydroxylamine
PubChem CID87478676
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC NameN-cyclohexa-2,4-dien-1-ylidenehydroxylamine
SMILESON=C1C=CC=CC1
InChIInChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-4,8H,5H2
InChIKeyCOFUQPNMLLLSLJ-UHFFFAOYSA-N
XLogP1.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-cyclohexa-2,4-dien-1-ylidenehydroxylamine?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylidenehydroxylamine (CID 87478676) is N-cyclohexa-2,4-dien-1-ylidenehydroxylamine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylidenehydroxylamine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylidenehydroxylamine is ON=C1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylidenehydroxylamine?
The InChIKey is COFUQPNMLLLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-4,8H,5H2.
What are the key properties of N-cyclohexa-2,4-dien-1-ylidenehydroxylamine?
N-cyclohexa-2,4-dien-1-ylidenehydroxylamine has a molecular weight of 109.13 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylidenehydroxylamine is sourced from PubChem (CID 87478676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).