(2-methoxycyclohexa-1,5-dien-1-yl)methanimine

C8H11NO — CID 90127013

IUPAC(2-methoxycyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=C(OC)CCC=C1
InChIInChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2,4,6,9H,3,5H2,1H3/b9-6+
InChIKeyHTRCPFUMILUBBS-RMKNXTFCSA-N
MW137.18 g/mol
LogP1.89
Rot. Bonds2

About (2-methoxycyclohexa-1,5-dien-1-yl)methanimine

(2-methoxycyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 90127013) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2-methoxycyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Name(2-methoxycyclohexa-1,5-dien-1-yl)methanimine
PubChem CID90127013
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2-methoxycyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=C(OC)CCC=C1
InChIInChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2,4,6,9H,3,5H2,1H3/b9-6+
InChIKeyHTRCPFUMILUBBS-RMKNXTFCSA-N
XLogP1.89
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of (2-methoxycyclohexa-1,5-dien-1-yl)methanimine (CID 90127013) is (2-methoxycyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for (2-methoxycyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for (2-methoxycyclohexa-1,5-dien-1-yl)methanimine is [H]/N=C/C1=C(OC)CCC=C1.
What is the InChIKey of (2-methoxycyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is HTRCPFUMILUBBS-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2,4,6,9H,3,5H2,1H3/b9-6+.
What are the key properties of (2-methoxycyclohexa-1,5-dien-1-yl)methanimine?
(2-methoxycyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 137.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 90127013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).