(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine

C13H19NO2 — CID 143025790

IUPAC(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine
SMILESC/C=C1/C=C(/OC)CC/C(OC)=C\C1=N/C
InChIInChI=1S/C13H19NO2/c1-5-10-8-11(15-3)6-7-12(16-4)9-13(10)14-2/h5,8-9H,6-7H2,1-4H3/b10-5-,11-8+,12-9+,14-13+
InChIKeyWEUFNGULHUYYLM-DGCRZDPTSA-N
MW221.30 g/mol
LogP2.86
Rot. Bonds2

About (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine

(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine (PubChem CID 143025790) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine.

Molecular Properties

Compound Name(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine
PubChem CID143025790
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine
SMILESC/C=C1/C=C(/OC)CC/C(OC)=C\C1=N/C
InChIInChI=1S/C13H19NO2/c1-5-10-8-11(15-3)6-7-12(16-4)9-13(10)14-2/h5,8-9H,6-7H2,1-4H3/b10-5-,11-8+,12-9+,14-13+
InChIKeyWEUFNGULHUYYLM-DGCRZDPTSA-N
XLogP2.86
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methylcyclohex-2-en-1-imine
CID 13217914
2-bromo-5-methoxycyclohexa-1,5-dien-1-ol
CID 147072342
1-chloro-4-methoxy-2-methylcyclohexa-1,3-diene
CID 130216991
1,5-dimethoxycyclohepta-1,4-diene
CID 156747546
3-methoxy(213C)cyclohex-2-en-1-one
CID 11789224
1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 144623760
5-methoxy-6,7-dihydro-1H-indene
CID 57039017
2-chloro-1-ethyl-4-methoxycyclohexa-1,3-diene
CID 142915949
3-methoxy-4-methyliminocyclohex-2-en-1-one
CID 143182781
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
(6Z)-6-ethylidene-N-methyl-3-[(3R)-3-methylhex-5-en-3-yl]cyclohexa-2,4-dien-1-imine
CID 145459440
1-(2-azidopropyl)-6-methoxy-2-methyl-4,5-dihydro-1H-indene
CID 57324523

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine?
The IUPAC name of (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine (CID 143025790) is (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine.
What is the SMILES notation for (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine?
The canonical SMILES for (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine is C/C=C1/C=C(/OC)CC/C(OC)=C\C1=N/C.
What is the InChIKey of (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine?
The InChIKey is WEUFNGULHUYYLM-DGCRZDPTSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10-8-11(15-3)6-7-12(16-4)9-13(10)14-2/h5,8-9H,6-7H2,1-4H3/b10-5-,11-8+,12-9+,14-13+.
What are the key properties of (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine?
(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine has a molecular weight of 221.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine is sourced from PubChem (CID 143025790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).