4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine

C11H17NO — CID 89244438

IUPAC4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine
SMILESC[C@H]1C=C(N2CCOCC2)C=CC1
InChIInChI=1S/C11H17NO/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12/h2,4,9-10H,3,5-8H2,1H3/t10-/m1/s1
InChIKeyCPJBQZFJSMJBNZ-SNVBAGLBSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds1

About 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine

4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine (PubChem CID 89244438) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine
PubChem CID89244438
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine
SMILESC[C@H]1C=C(N2CCOCC2)C=CC1
InChIInChI=1S/C11H17NO/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12/h2,4,9-10H,3,5-8H2,1H3/t10-/m1/s1
InChIKeyCPJBQZFJSMJBNZ-SNVBAGLBSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
The IUPAC name of 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine (CID 89244438) is 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine.
What is the SMILES notation for 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
The canonical SMILES for 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine is C[C@H]1C=C(N2CCOCC2)C=CC1.
What is the InChIKey of 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
The InChIKey is CPJBQZFJSMJBNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12/h2,4,9-10H,3,5-8H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine has a molecular weight of 179.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]morpholine is sourced from PubChem (CID 89244438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).