4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine

C11H17NO2 — CID 102245622

IUPAC4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine
SMILESCOC1=CC=CCC1N1CCOCC1
InChIInChI=1S/C11H17NO2/c1-13-11-5-3-2-4-10(11)12-6-8-14-9-7-12/h2-3,5,10H,4,6-9H2,1H3
InChIKeyGCEOFXBIGPYTJX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.18
Rot. Bonds2

About 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine

4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine (PubChem CID 102245622) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine
PubChem CID102245622
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine
SMILESCOC1=CC=CCC1N1CCOCC1
InChIInChI=1S/C11H17NO2/c1-13-11-5-3-2-4-10(11)12-6-8-14-9-7-12/h2-3,5,10H,4,6-9H2,1H3
InChIKeyGCEOFXBIGPYTJX-UHFFFAOYSA-N
XLogP1.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine?
The IUPAC name of 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine (CID 102245622) is 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine.
What is the SMILES notation for 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine?
The canonical SMILES for 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine is COC1=CC=CCC1N1CCOCC1.
What is the InChIKey of 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine?
The InChIKey is GCEOFXBIGPYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-13-11-5-3-2-4-10(11)12-6-8-14-9-7-12/h2-3,5,10H,4,6-9H2,1H3.
What are the key properties of 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine?
4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine has a molecular weight of 195.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxycyclohexa-2,4-dien-1-yl)morpholine is sourced from PubChem (CID 102245622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).