4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine

C14H21NO2 — CID 142097272

IUPAC4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
SMILESCC1=CC=C(OCCN2CCOCC2)C=CC1
InChIInChI=1S/C14H21NO2/c1-13-3-2-4-14(6-5-13)17-12-9-15-7-10-16-11-8-15/h2,4-6H,3,7-12H2,1H3
InChIKeyWZMQXKWBFGHSSR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds4

About 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine

4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine (PubChem CID 142097272) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
PubChem CID142097272
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
SMILESCC1=CC=C(OCCN2CCOCC2)C=CC1
InChIInChI=1S/C14H21NO2/c1-13-3-2-4-14(6-5-13)17-12-9-15-7-10-16-11-8-15/h2,4-6H,3,7-12H2,1H3
InChIKeyWZMQXKWBFGHSSR-UHFFFAOYSA-N
XLogP2.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine (CID 142097272) is 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine is CC1=CC=C(OCCN2CCOCC2)C=CC1.
What is the InChIKey of 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine?
The InChIKey is WZMQXKWBFGHSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13-3-2-4-14(6-5-13)17-12-9-15-7-10-16-11-8-15/h2,4-6H,3,7-12H2,1H3.
What are the key properties of 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine?
4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine is sourced from PubChem (CID 142097272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).