1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C24H25NO4 — CID 90586218

IUPAC1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)CCC(C(=O)N1CCC3(CC(=O)c4ccccc4O3)C1)C2
InChIInChI=1S/C24H25NO4/c1-28-19-9-8-16-12-18(7-6-17(16)13-19)23(27)25-11-10-24(15-25)14-21(26)20-4-2-3-5-22(20)29-24/h2-5,8-9,13,18H,6-7,10-12,14-15H2,1H3
InChIKeyVIPXJEVEGVWKGV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.44
Rot. Bonds2

About 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586218) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586218
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)CCC(C(=O)N1CCC3(CC(=O)c4ccccc4O3)C1)C2
InChIInChI=1S/C24H25NO4/c1-28-19-9-8-16-12-18(7-6-17(16)13-19)23(27)25-11-10-24(15-25)14-21(26)20-4-2-3-5-22(20)29-24/h2-5,8-9,13,18H,6-7,10-12,14-15H2,1H3
InChIKeyVIPXJEVEGVWKGV-UHFFFAOYSA-N
XLogP3.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586218) is 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)CCC(C(=O)N1CCC3(CC(=O)c4ccccc4O3)C1)C2.
What is the InChIKey of 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is VIPXJEVEGVWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-28-19-9-8-16-12-18(7-6-17(16)13-19)23(27)25-11-10-24(15-25)14-21(26)20-4-2-3-5-22(20)29-24/h2-5,8-9,13,18H,6-7,10-12,14-15H2,1H3.
What are the key properties of 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 391.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).