5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

C20H23NO4 — CID 23392467

IUPAC5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H23NO4/c1-14-10-17-13-25-19(23)20(17,11-14)12-15-2-4-16(5-3-15)18(22)21-6-8-24-9-7-21/h2-5,17H,1,6-13H2
InChIKeyCUFBSRAOOQSBOS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.21
Rot. Bonds3

About 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one

5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 23392467) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID23392467
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESC=C1CC2COC(=O)C2(Cc2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C20H23NO4/c1-14-10-17-13-25-19(23)20(17,11-14)12-15-2-4-16(5-3-15)18(22)21-6-8-24-9-7-21/h2-5,17H,1,6-13H2
InChIKeyCUFBSRAOOQSBOS-UHFFFAOYSA-N
XLogP2.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 23392467) is 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is C=C1CC2COC(=O)C2(Cc2ccc(C(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is CUFBSRAOOQSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-10-17-13-25-19(23)20(17,11-14)12-15-2-4-16(5-3-15)18(22)21-6-8-24-9-7-21/h2-5,17H,1,6-13H2.
What are the key properties of 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one?
5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3a-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 23392467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).