6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one

C13H15NO — CID 138536074

IUPAC6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
SMILESCCc1ccc2c(c1)CC(=O)NC21CC1
InChIInChI=1S/C13H15NO/c1-2-9-3-4-11-10(7-9)8-12(15)14-13(11)5-6-13/h3-4,7H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyPQFGRXXUEYPZGH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.91
Rot. Bonds1

About 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one

6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one (PubChem CID 138536074) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
PubChem CID138536074
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
SMILESCCc1ccc2c(c1)CC(=O)NC21CC1
InChIInChI=1S/C13H15NO/c1-2-9-3-4-11-10(7-9)8-12(15)14-13(11)5-6-13/h3-4,7H,2,5-6,8H2,1H3,(H,14,15)
InChIKeyPQFGRXXUEYPZGH-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-propan-2-ylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one
CID 138530779
6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 138553902
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
7-ethyl-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 82125519
6-ethyl-3,3-dimethyl-2H-isoindol-1-one
CID 138530782
(3R)-6-propan-2-ylspiro[1,2-dihydroindene-3,5'-pyrrolidine]-2'-one
CID 167207593
2-ethyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
CID 158592287
6-ethyl-3-methoxy-3-methyl-1,2-dihydroindene
CID 163564021
ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 145183093
2-bromo-6-ethyl-2-methyl-3H-inden-1-one
CID 174917020
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one
CID 172957517

Frequently Asked Questions

What is the IUPAC name of 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
The IUPAC name of 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one (CID 138536074) is 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
The canonical SMILES for 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one is CCc1ccc2c(c1)CC(=O)NC21CC1.
What is the InChIKey of 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
The InChIKey is PQFGRXXUEYPZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-9-3-4-11-10(7-9)8-12(15)14-13(11)5-6-13/h3-4,7H,2,5-6,8H2,1H3,(H,14,15).
What are the key properties of 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one?
6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one has a molecular weight of 201.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylspiro[2,4-dihydroisoquinoline-1,1'-cyclopropane]-3-one is sourced from PubChem (CID 138536074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).