6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C16H22N2O2 — CID 82046423

IUPAC6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1c(N)cc2c(c1C)OC1(CCN(C)CC1)CC2=O
InChIInChI=1S/C16H22N2O2/c1-10-11(2)15-12(8-13(10)17)14(19)9-16(20-15)4-6-18(3)7-5-16/h8H,4-7,9,17H2,1-3H3
InChIKeyCFWPPOAFJGPISE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.32
Rot. Bonds

About 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one

6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 82046423) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID82046423
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1c(N)cc2c(c1C)OC1(CCN(C)CC1)CC2=O
InChIInChI=1S/C16H22N2O2/c1-10-11(2)15-12(8-13(10)17)14(19)9-16(20-15)4-6-18(3)7-5-16/h8H,4-7,9,17H2,1-3H3
InChIKeyCFWPPOAFJGPISE-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 82046423) is 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1c(N)cc2c(c1C)OC1(CCN(C)CC1)CC2=O.
What is the InChIKey of 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is CFWPPOAFJGPISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-11(2)15-12(8-13(10)17)14(19)9-16(20-15)4-6-18(3)7-5-16/h8H,4-7,9,17H2,1-3H3.
What are the key properties of 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 274.36 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1',7,8-trimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 82046423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).