4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine

C12H19NO — CID 129089879

IUPAC4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
SMILESCC1=CCC(CN2CCOCC2)C=C1
InChIInChI=1S/C12H19NO/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-4,12H,5-10H2,1H3
InChIKeyDAKWTCDZRIVSKL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds2

About 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine

4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine (PubChem CID 129089879) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
PubChem CID129089879
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
SMILESCC1=CCC(CN2CCOCC2)C=C1
InChIInChI=1S/C12H19NO/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-4,12H,5-10H2,1H3
InChIKeyDAKWTCDZRIVSKL-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine (CID 129089879) is 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine is CC1=CCC(CN2CCOCC2)C=C1.
What is the InChIKey of 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The InChIKey is DAKWTCDZRIVSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-4,12H,5-10H2,1H3.
What are the key properties of 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine has a molecular weight of 193.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 129089879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).