4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine

C20H21NOS — CID 123793719

IUPAC4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC(=C1C=C(CCN2CCOCC2)c2ccccc21)c1cccs1
InChIInChI=1S/C20H21NOS/c1-2-6-20-17(15-18-4-3-13-23-18)14-16(19(20)5-1)7-8-21-9-11-22-12-10-21/h1-6,13-15H,7-12H2
InChIKeyOOAOASYMWYBRIF-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.41
Rot. Bonds4

About 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 123793719) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID123793719
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC Name4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC(=C1C=C(CCN2CCOCC2)c2ccccc21)c1cccs1
InChIInChI=1S/C20H21NOS/c1-2-6-20-17(15-18-4-3-13-23-18)14-16(19(20)5-1)7-8-21-9-11-22-12-10-21/h1-6,13-15H,7-12H2
InChIKeyOOAOASYMWYBRIF-UHFFFAOYSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 123793719) is 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine is C(=C1C=C(CCN2CCOCC2)c2ccccc21)c1cccs1.
What is the InChIKey of 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is OOAOASYMWYBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c1-2-6-20-17(15-18-4-3-13-23-18)14-16(19(20)5-1)7-8-21-9-11-22-12-10-21/h1-6,13-15H,7-12H2.
What are the key properties of 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 323.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 123793719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).