6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one

C14H16ClNO2 — CID 114673017

IUPAC6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
SMILESCC1CC2(CC(=O)c3cc(Cl)ccc3O2)CN1C
InChIInChI=1S/C14H16ClNO2/c1-9-6-14(8-16(9)2)7-12(17)11-5-10(15)3-4-13(11)18-14/h3-5,9H,6-8H2,1-2H3
InChIKeySFIYFRCUVNAYKN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.77
Rot. Bonds

About 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one

6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one (PubChem CID 114673017) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one.

Molecular Properties

Compound Name6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
PubChem CID114673017
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
SMILESCC1CC2(CC(=O)c3cc(Cl)ccc3O2)CN1C
InChIInChI=1S/C14H16ClNO2/c1-9-6-14(8-16(9)2)7-12(17)11-5-10(15)3-4-13(11)18-14/h3-5,9H,6-8H2,1-2H3
InChIKeySFIYFRCUVNAYKN-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672944
6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114708917
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
4'-tert-butyl-6-chlorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672988
1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114672071
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
6-chloro-3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672712
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
6-chloro-1'-prop-1-en-2-ylspiro[3H-chromene-2,4'-azepane]-4-one;ethane;methylcyclohexane
CID 143498134
6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781880
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
The IUPAC name of 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one (CID 114673017) is 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one.
What is the SMILES notation for 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
The canonical SMILES for 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one is CC1CC2(CC(=O)c3cc(Cl)ccc3O2)CN1C.
What is the InChIKey of 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
The InChIKey is SFIYFRCUVNAYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-6-14(8-16(9)2)7-12(17)11-5-10(15)3-4-13(11)18-14/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one has a molecular weight of 265.74 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one is sourced from PubChem (CID 114673017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).