6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C15H18ClNO2 — CID 16643155

IUPAC6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(c(C)c1Cl)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C15H18ClNO2/c1-9-7-12-13(10(2)14(9)16)11(18)8-15(19-12)3-5-17-6-4-15/h7,17H,3-6,8H2,1-2H3
InChIKeyRBLLLHQHNPFEEO-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.04
Rot. Bonds

About 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 16643155) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID16643155
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc2c(c(C)c1Cl)C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C15H18ClNO2/c1-9-7-12-13(10(2)14(9)16)11(18)8-15(19-12)3-5-17-6-4-15/h7,17H,3-6,8H2,1-2H3
InChIKeyRBLLLHQHNPFEEO-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-butanoyl-6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735412
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
6-chloro-5,7-dimethyl-1'-(2-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735393
6-chloro-1'-[2-(4-methoxyphenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735394
6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758533
6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758540
6-chloro-N-cyclohexyl-5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781940
1-(6-chloro-5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 108735417
6-chloro-5,7-dimethyl-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774755
6-chloro-5,7-dimethyl-1'-[2-(2,3,5-trimethylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735425
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
6-chloro-5,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758603

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 16643155) is 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc2c(c(C)c1Cl)C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RBLLLHQHNPFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9-7-12-13(10(2)14(9)16)11(18)8-15(19-12)3-5-17-6-4-15/h7,17H,3-6,8H2,1-2H3.
What are the key properties of 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 279.77 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 16643155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).