1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C15H19NO2 — CID 114671516

IUPAC1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCC(C)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C15H19NO2/c1-11(2)16-8-7-15(10-16)9-13(17)12-5-3-4-6-14(12)18-15/h3-6,11H,7-10H2,1-2H3
InChIKeyRDDSQQQELGNUCQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.50
Rot. Bonds1

About 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 114671516) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID114671516
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCC(C)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C15H19NO2/c1-11(2)16-8-7-15(10-16)9-13(17)12-5-3-4-6-14(12)18-15/h3-6,11H,7-10H2,1-2H3
InChIKeyRDDSQQQELGNUCQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97274102
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
CID 67986565
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
1'-(2,3,4,5,6-pentamethylphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586051
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
CID 7219629
2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide
CID 95794446

Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 114671516) is 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is CC(C)N1CCC2(CC(=O)c3ccccc3O2)C1.
What is the InChIKey of 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is RDDSQQQELGNUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)16-8-7-15(10-16)9-13(17)12-5-3-4-6-14(12)18-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 114671516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).