5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C18H26N2O2 — CID 82047388

IUPAC5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCc1cc(C)c2c(c1)OC1(CCNC1)CC2N1CCOCC1
InChIInChI=1S/C18H26N2O2/c1-13-9-14(2)17-15(20-5-7-21-8-6-20)11-18(3-4-19-12-18)22-16(17)10-13/h9-10,15,19H,3-8,11-12H2,1-2H3
InChIKeyLJQHCLVIACEWGS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds1

About 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 82047388) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID82047388
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCc1cc(C)c2c(c1)OC1(CCNC1)CC2N1CCOCC1
InChIInChI=1S/C18H26N2O2/c1-13-9-14(2)17-15(20-5-7-21-8-6-20)11-18(3-4-19-12-18)22-16(17)10-13/h9-10,15,19H,3-8,11-12H2,1-2H3
InChIKeyLJQHCLVIACEWGS-UHFFFAOYSA-N
XLogP2.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 82047388) is 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is Cc1cc(C)c2c(c1)OC1(CCNC1)CC2N1CCOCC1.
What is the InChIKey of 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is LJQHCLVIACEWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-14(2)17-15(20-5-7-21-8-6-20)11-18(3-4-19-12-18)22-16(17)10-13/h9-10,15,19H,3-8,11-12H2,1-2H3.
What are the key properties of 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 302.42 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82047388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).