6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one

C17H23NO3 — CID 67986565

IUPAC6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCCN(C(C)C)C1)O2
InChIInChI=1S/C17H23NO3/c1-12(2)18-8-4-7-17(11-18)10-15(19)14-9-13(20-3)5-6-16(14)21-17/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyIIPMKRHACVXZDB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.90
Rot. Bonds2

About 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one

6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one (PubChem CID 67986565) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
PubChem CID67986565
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCCN(C(C)C)C1)O2
InChIInChI=1S/C17H23NO3/c1-12(2)18-8-4-7-17(11-18)10-15(19)14-9-13(20-3)5-6-16(14)21-17/h5-6,9,12H,4,7-8,10-11H2,1-3H3
InChIKeyIIPMKRHACVXZDB-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114673893
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
6-methoxy-1'-(2-methoxybenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768631
1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746393

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one?
The IUPAC name of 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one (CID 67986565) is 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one.
What is the SMILES notation for 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one?
The canonical SMILES for 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCCN(C(C)C)C1)O2.
What is the InChIKey of 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one?
The InChIKey is IIPMKRHACVXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)18-8-4-7-17(11-18)10-15(19)14-9-13(20-3)5-6-16(14)21-17/h5-6,9,12H,4,7-8,10-11H2,1-3H3.
What are the key properties of 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one?
6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one has a molecular weight of 289.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one is sourced from PubChem (CID 67986565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).