(E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine

C9H13NO2 — CID 143008357

IUPAC(E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine
SMILESCO/N=C/C1C=CC=CC1OC
InChIInChI=1S/C9H13NO2/c1-11-9-6-4-3-5-8(9)7-10-12-2/h3-9H,1-2H3/b10-7+
InChIKeyYCIUPSUBOSVIOQ-JXMROGBWSA-N
MW167.21 g/mol
LogP1.38
Rot. Bonds3

About (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine

(E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 143008357) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine
PubChem CID143008357
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine
SMILESCO/N=C/C1C=CC=CC1OC
InChIInChI=1S/C9H13NO2/c1-11-9-6-4-3-5-8(9)7-10-12-2/h3-9H,1-2H3/b10-7+
InChIKeyYCIUPSUBOSVIOQ-JXMROGBWSA-N
XLogP1.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine (CID 143008357) is (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine is CO/N=C/C1C=CC=CC1OC.
What is the InChIKey of (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is YCIUPSUBOSVIOQ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-9-6-4-3-5-8(9)7-10-12-2/h3-9H,1-2H3/b10-7+.
What are the key properties of (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine?
(E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 167.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(6-methoxycyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 143008357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).