4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine

C13H20N2O — CID 59382319

IUPAC4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine
SMILESC1=CC2CNCC2C=C1CN1CCOCC1
InChIInChI=1S/C13H20N2O/c1-2-12-8-14-9-13(12)7-11(1)10-15-3-5-16-6-4-15/h1-2,7,12-14H,3-6,8-10H2
InChIKeyCJMFXBGQQUPYQS-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.65
Rot. Bonds2

About 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine

4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine (PubChem CID 59382319) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine
PubChem CID59382319
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine
SMILESC1=CC2CNCC2C=C1CN1CCOCC1
InChIInChI=1S/C13H20N2O/c1-2-12-8-14-9-13(12)7-11(1)10-15-3-5-16-6-4-15/h1-2,7,12-14H,3-6,8-10H2
InChIKeyCJMFXBGQQUPYQS-UHFFFAOYSA-N
XLogP0.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine?
The IUPAC name of 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine (CID 59382319) is 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine.
What is the SMILES notation for 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine?
The canonical SMILES for 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine is C1=CC2CNCC2C=C1CN1CCOCC1.
What is the InChIKey of 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine?
The InChIKey is CJMFXBGQQUPYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12-8-14-9-13(12)7-11(1)10-15-3-5-16-6-4-15/h1-2,7,12-14H,3-6,8-10H2.
What are the key properties of 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine?
4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine has a molecular weight of 220.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,7a-tetrahydro-1H-isoindol-5-ylmethyl)morpholine is sourced from PubChem (CID 59382319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).