3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one

C15H19NO2 — CID 104524935

IUPAC3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
SMILESCC1COc2ccccc2C12CC(=O)NC2(C)C
InChIInChI=1S/C15H19NO2/c1-10-9-18-12-7-5-4-6-11(12)15(10)8-13(17)16-14(15,2)3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyJVDXJOUGYHVKJY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds

About 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one

3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one (PubChem CID 104524935) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
PubChem CID104524935
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
SMILESCC1COc2ccccc2C12CC(=O)NC2(C)C
InChIInChI=1S/C15H19NO2/c1-10-9-18-12-7-5-4-6-11(12)15(10)8-13(17)16-14(15,2)3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyJVDXJOUGYHVKJY-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
CID 104524767
3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
CID 104524724
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
4-[acetyl(ethyl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524520
4,4-dimethyl-1,3-benzodioxine
CID 45117132
4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524492
4-(2-bromophenyl)-4-methylazetidin-2-one
CID 64666618
4-[formyl(propan-2-yl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524522
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864

Frequently Asked Questions

What is the IUPAC name of 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
The IUPAC name of 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one (CID 104524935) is 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
The canonical SMILES for 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one is CC1COc2ccccc2C12CC(=O)NC2(C)C.
What is the InChIKey of 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
The InChIKey is JVDXJOUGYHVKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-18-12-7-5-4-6-11(12)15(10)8-13(17)16-14(15,2)3/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one?
3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one has a molecular weight of 245.32 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 104524935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).