(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine

C10H13NO — CID 142275833

IUPAC(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=CC(OC)=C/C1=N\C
InChIInChI=1S/C10H13NO/c1-4-8-5-6-9(12-3)7-10(8)11-2/h4-7H,1-3H3/b8-4-,11-10+
InChIKeyUPAUIGMXCSMDCG-VCDHSJCMSA-N
MW163.22 g/mol
LogP2.10
Rot. Bonds1

About (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine

(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 142275833) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID142275833
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=CC(OC)=C/C1=N\C
InChIInChI=1S/C10H13NO/c1-4-8-5-6-9(12-3)7-10(8)11-2/h4-7H,1-3H3/b8-4-,11-10+
InChIKeyUPAUIGMXCSMDCG-VCDHSJCMSA-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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Spiro[indole-2,2'-furan]
CID 129781759
1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)-N-(2-methylpropyl)ethanimine
CID 169112947
4-Propyl-3,1-benzoxazine
CID 129795649
4-Vinyl-3,1-benzoxazine
CID 172994105
8H-pyrano[2,3-f]quinoline
CID 22182538
4-Methoxycyclohexa-2,4-dien-1-imine
CID 22321529
5-methoxy-2H-benzimidazole
CID 22891148
8H-pyrano[3,2-g]quinoline
CID 23433547
5-methoxy-2,3-dimethyl-6-prop-1-en-2-yl-4H-pyridin-4-ide;yttrium
CID 57756661
5-methoxy-2H-indole
CID 67835448
6-Methoxy-4-quinolyllithium
CID 86732902
(6Z,10aZ,12E)-1-methoxybenzo[c][1]benzazocine
CID 87730255

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine (CID 142275833) is (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine is C/C=C1/C=CC(OC)=C/C1=N\C.
What is the InChIKey of (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is UPAUIGMXCSMDCG-VCDHSJCMSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-8-5-6-9(12-3)7-10(8)11-2/h4-7H,1-3H3/b8-4-,11-10+.
What are the key properties of (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine?
(6Z)-6-ethylidene-3-methoxy-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 (6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142275833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).