4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine

C12H19NO — CID 89265156

IUPAC4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine
SMILESCCC1=CC(N2CCOCC2)CC=C1
InChIInChI=1S/C12H19NO/c1-2-11-4-3-5-12(10-11)13-6-8-14-9-7-13/h3-4,10,12H,2,5-9H2,1H3
InChIKeyXSRCFUSTHJZDJZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine

4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine (PubChem CID 89265156) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine
PubChem CID89265156
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine
SMILESCCC1=CC(N2CCOCC2)CC=C1
InChIInChI=1S/C12H19NO/c1-2-11-4-3-5-12(10-11)13-6-8-14-9-7-13/h3-4,10,12H,2,5-9H2,1H3
InChIKeyXSRCFUSTHJZDJZ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine?
The IUPAC name of 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine (CID 89265156) is 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine.
What is the SMILES notation for 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine?
The canonical SMILES for 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine is CCC1=CC(N2CCOCC2)CC=C1.
What is the InChIKey of 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine?
The InChIKey is XSRCFUSTHJZDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-11-4-3-5-12(10-11)13-6-8-14-9-7-13/h3-4,10,12H,2,5-9H2,1H3.
What are the key properties of 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine?
4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine has a molecular weight of 193.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexa-2,4-dien-1-yl)morpholine is sourced from PubChem (CID 89265156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).