N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine

C12H17NO — CID 156873053

IUPACN-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CC(C)C=C1OC
InChIInChI=1S/C12H17NO/c1-5-6-13-12-10(3)7-9(2)8-11(12)14-4/h5-6,8-9H,1,7H2,2-4H3/b13-6+
InChIKeySCCWFXSJSMJECO-AWNIVKPZSA-N
MW191.27 g/mol
LogP3.09
Rot. Bonds3

About N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine

N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine (PubChem CID 156873053) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
PubChem CID156873053
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CC(C)C=C1OC
InChIInChI=1S/C12H17NO/c1-5-6-13-12-10(3)7-9(2)8-11(12)14-4/h5-6,8-9H,1,7H2,2-4H3/b13-6+
InChIKeySCCWFXSJSMJECO-AWNIVKPZSA-N
XLogP3.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.09
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

3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
CID 19956540
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
CID 177053862
(3S)-1,3-dimethylcyclobutene
CID 58737300
2-methoxy-4-sulfanylcyclopent-2-en-1-one
CID 18736371
(6E)-1-methoxy-6-prop-2-enylidenecyclohexa-1,3-diene
CID 143723879
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethylcyclohexa-1,3-diene
CID 143422229
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
methyl 3-methyl-5-oxocyclopentene-1-carboxylate
CID 90775722
N-(6-methyl-3-pyridinyl)prop-2-en-1-imine
CID 143838526
methyl 2-hydroxy-2-(3-methylcyclobuten-1-yl)acetate
CID 23506137

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The IUPAC name of N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine (CID 156873053) is N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine is C=C/C=N/C1=C(C)CC(C)C=C1OC.
What is the InChIKey of N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
The InChIKey is SCCWFXSJSMJECO-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-6-13-12-10(3)7-9(2)8-11(12)14-4/h5-6,8-9H,1,7H2,2-4H3/b13-6+.
What are the key properties of N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine?
N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 156873053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).