1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one

C19H25NO3 — CID 171355376

IUPAC1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one
SMILESCN1CCC2(CC1)CC(=O)c1c(ccc3c1CCC(C)(C)O3)O2
InChIInChI=1S/C19H25NO3/c1-18(2)7-6-13-15(22-18)4-5-16-17(13)14(21)12-19(23-16)8-10-20(3)11-9-19/h4-5H,6-12H2,1-3H3
InChIKeyDPCLCWGSOOSHCD-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.22
Rot. Bonds

About 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one

1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one (PubChem CID 171355376) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one
PubChem CID171355376
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one
SMILESCN1CCC2(CC1)CC(=O)c1c(ccc3c1CCC(C)(C)O3)O2
InChIInChI=1S/C19H25NO3/c1-18(2)7-6-13-15(22-18)4-5-16-17(13)14(21)12-19(23-16)8-10-20(3)11-9-19/h4-5H,6-12H2,1-3H3
InChIKeyDPCLCWGSOOSHCD-UHFFFAOYSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one?
The IUPAC name of 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one (CID 171355376) is 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one.
What is the SMILES notation for 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one?
The canonical SMILES for 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one is CN1CCC2(CC1)CC(=O)c1c(ccc3c1CCC(C)(C)O3)O2.
What is the InChIKey of 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one?
The InChIKey is DPCLCWGSOOSHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2)7-6-13-15(22-18)4-5-16-17(13)14(21)12-19(23-16)8-10-20(3)11-9-19/h4-5H,6-12H2,1-3H3.
What are the key properties of 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one?
1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one has a molecular weight of 315.41 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one is sourced from PubChem (CID 171355376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).