(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide

C8H9NO2 — CID 10080568

IUPAC(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide
SMILESC/C=C1\C=CC=C\C1=[N+](/[O-])O
InChIInChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H3,(H,10,11)/b7-2+
InChIKeyFYTXJNRZPNVRRG-FARCUNLSSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds

About (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide

(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide (PubChem CID 10080568) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide.

Molecular Properties

Compound Name(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide
PubChem CID10080568
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide
SMILESC/C=C1\C=CC=C\C1=[N+](/[O-])O
InChIInChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H3,(H,10,11)/b7-2+
InChIKeyFYTXJNRZPNVRRG-FARCUNLSSA-N
XLogP1.40
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.40
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 (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide?
The IUPAC name of (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide (CID 10080568) is (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide.
What is the SMILES notation for (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide?
The canonical SMILES for (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide is C/C=C1\C=CC=C\C1=[N+](/[O-])O.
What is the InChIKey of (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide?
The InChIKey is FYTXJNRZPNVRRG-FARCUNLSSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H3,(H,10,11)/b7-2+.
What are the key properties of (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide?
(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide has a molecular weight of 151.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide is sourced from PubChem (CID 10080568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).