1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine

C15H18N2O — CID 170216110

IUPAC1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine
SMILESCC=c1ccc(=COCN2C=CN(C)C=C2)cc1
InChIInChI=1S/C15H18N2O/c1-3-14-4-6-15(7-5-14)12-18-13-17-10-8-16(2)9-11-17/h3-12H,13H2,1-2H3/b14-3-,15-12+
InChIKeyJGSJIEBQDDRPLL-RXHRWYNISA-N
MW242.32 g/mol
LogP1.39
Rot. Bonds3

About 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine

1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine (PubChem CID 170216110) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine.

Molecular Properties

Compound Name1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine
PubChem CID170216110
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine
SMILESCC=c1ccc(=COCN2C=CN(C)C=C2)cc1
InChIInChI=1S/C15H18N2O/c1-3-14-4-6-15(7-5-14)12-18-13-17-10-8-16(2)9-11-17/h3-12H,13H2,1-2H3/b14-3-,15-12+
InChIKeyJGSJIEBQDDRPLL-RXHRWYNISA-N
XLogP1.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine?
The IUPAC name of 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine (CID 170216110) is 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine.
What is the SMILES notation for 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine?
The canonical SMILES for 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine is CC=c1ccc(=COCN2C=CN(C)C=C2)cc1.
What is the InChIKey of 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine?
The InChIKey is JGSJIEBQDDRPLL-RXHRWYNISA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-14-4-6-15(7-5-14)12-18-13-17-10-8-16(2)9-11-17/h3-12H,13H2,1-2H3/b14-3-,15-12+.
What are the key properties of 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine?
1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine has a molecular weight of 242.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine is sourced from PubChem (CID 170216110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).