4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine

C13H21NO — CID 141064497

IUPAC4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine
SMILESCC1C=CC=CC1CCN1CCOCC1
InChIInChI=1S/C13H21NO/c1-12-4-2-3-5-13(12)6-7-14-8-10-15-11-9-14/h2-5,12-13H,6-11H2,1H3
InChIKeyNYDIIEUERRYJDP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds3

About 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine

4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine (PubChem CID 141064497) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine
PubChem CID141064497
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine
SMILESCC1C=CC=CC1CCN1CCOCC1
InChIInChI=1S/C13H21NO/c1-12-4-2-3-5-13(12)6-7-14-8-10-15-11-9-14/h2-5,12-13H,6-11H2,1H3
InChIKeyNYDIIEUERRYJDP-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine (CID 141064497) is 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine is CC1C=CC=CC1CCN1CCOCC1.
What is the InChIKey of 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine?
The InChIKey is NYDIIEUERRYJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12-4-2-3-5-13(12)6-7-14-8-10-15-11-9-14/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine?
4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine has a molecular weight of 207.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]morpholine is sourced from PubChem (CID 141064497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).