(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine

C7H9NO — CID 172985783

IUPAC(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
SMILESCC1=CC=CC/C1=N/O
InChIInChI=1S/C7H9NO/c1-6-4-2-3-5-7(6)8-9/h2-4,9H,5H2,1H3/b8-7-
InChIKeyUXRNTKVYIWYXRI-FPLPWBNLSA-N
MW123.15 g/mol
LogP1.72
Rot. Bonds

About (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine

(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine (PubChem CID 172985783) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
PubChem CID172985783
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
SMILESCC1=CC=CC/C1=N/O
InChIInChI=1S/C7H9NO/c1-6-4-2-3-5-7(6)8-9/h2-4,9H,5H2,1H3/b8-7-
InChIKeyUXRNTKVYIWYXRI-FPLPWBNLSA-N
XLogP1.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.72
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 (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine (CID 172985783) is (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine is CC1=CC=CC/C1=N/O.
What is the InChIKey of (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine?
The InChIKey is UXRNTKVYIWYXRI-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-4-2-3-5-7(6)8-9/h2-4,9H,5H2,1H3/b8-7-.
What are the key properties of (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine?
(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine has a molecular weight of 123.15 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine is sourced from PubChem (CID 172985783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).