(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine

C10H13NO — CID 163849462

IUPAC(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=C\C1=C(\C)OC
InChIInChI=1S/C10H13NO/c1-8(12-3)9-6-4-5-7-10(9)11-2/h4-7H,1-3H3/b9-8+,11-10+
InChIKeyOTBRHIXQBTUFQZ-BNFZFUHLSA-N
MW163.22 g/mol
LogP2.10
Rot. Bonds1

About (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine

(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 163849462) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID163849462
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=C\C1=C(\C)OC
InChIInChI=1S/C10H13NO/c1-8(12-3)9-6-4-5-7-10(9)11-2/h4-7H,1-3H3/b9-8+,11-10+
InChIKeyOTBRHIXQBTUFQZ-BNFZFUHLSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2H-3,1-Benzoxazine
CID 18354516
3,1-Benzooxazine hydrochloride
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(3Z,6Z,9Z,11E)-10-ethyl-6-fluoro-12-methoxy-N,5,8-trimethyltetradeca-3,6,9,11-tetraen-2-imine
CID 155441777
7-fluoro-8-methyl-2H-3,1-benzoxazine
CID 175783498
6,12-Dimethoxybenzo[c][1,5]benzodiazocine
CID 289849
4-Propyl-3,1-benzoxazine
CID 129795649
3,1-Benzoxazine hydrobromide
CID 129814186
4-Vinyl-3,1-benzoxazine
CID 172994105
(4aZ,6E,10aZ,12Z)-6-methoxybenzo[c][1]benzazocine
CID 9562528
(6E,10aE,12Z)-6-methoxybenzo[c][1]benzazocine
CID 172025342
(1Z,7Z,13Z,15E)-15-methoxy-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 9562705
(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine
CID 11969551

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine (CID 163849462) is (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine is C/N=C1\C=CC=C\C1=C(\C)OC.
What is the InChIKey of (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is OTBRHIXQBTUFQZ-BNFZFUHLSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(12-3)9-6-4-5-7-10(9)11-2/h4-7H,1-3H3/b9-8+,11-10+.
What are the key properties of (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine?
(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 163.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 163849462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).