1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine

C9H13NO — CID 123212202

IUPAC1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=C(OC)CC1
InChIInChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3,5,10H,4,6H2,1-2H3/b10-7+
InChIKeyGXSUUKCFEMMRIN-JXMROGBWSA-N
MW151.21 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine

1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine (PubChem CID 123212202) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine
PubChem CID123212202
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=C(OC)CC1
InChIInChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3,5,10H,4,6H2,1-2H3/b10-7+
InChIKeyGXSUUKCFEMMRIN-JXMROGBWSA-N
XLogP2.28
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-methyl-7H-indazole
CID 70187702
2-Imino-2-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)ethanethiol
CID 88271852
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 89553367
(6Z)-2-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89693604
(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 90160314
2-Methoxycyclohex-2-en-1-imine
CID 123417114
1-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)ethanimine
CID 123751147
(E)-5-methoxy-3-methylidenehex-4-en-2-imine
CID 123829590
Ethane;3-methoxy-6-methylcyclohexa-3,5-diene-1,2-diimine
CID 142242925
[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium
CID 142258321
3-Methoxy-2-methylcyclohex-2-en-1-imine
CID 143454049
Ethane;3-ethoxycyclohex-2-en-1-imine
CID 144878388

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine?
The IUPAC name of 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine (CID 123212202) is 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine.
What is the SMILES notation for 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine?
The canonical SMILES for 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine is [H]/N=C(\C)C1=CC=C(OC)CC1.
What is the InChIKey of 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine?
The InChIKey is GXSUUKCFEMMRIN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3,5,10H,4,6H2,1-2H3/b10-7+.
What are the key properties of 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine?
1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine has a molecular weight of 151.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexa-1,3-dien-1-yl)ethanimine is sourced from PubChem (CID 123212202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).