1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone

C17H23NO — CID 757904

IUPAC1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@@H](C)CC12CCCCC2
InChIInChI=1S/C17H23NO/c1-13-12-17(10-6-3-7-11-17)18(14(2)19)16-9-5-4-8-15(13)16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m0/s1
InChIKeyQGUIAXDZUZEACZ-ZDUSSCGKSA-N
MW257.38 g/mol
LogP4.25
Rot. Bonds

About 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone

1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone (PubChem CID 757904) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone
PubChem CID757904
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@@H](C)CC12CCCCC2
InChIInChI=1S/C17H23NO/c1-13-12-17(10-6-3-7-11-17)18(14(2)19)16-9-5-4-8-15(13)16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m0/s1
InChIKeyQGUIAXDZUZEACZ-ZDUSSCGKSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone?
The IUPAC name of 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone (CID 757904) is 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone is CC(=O)N1c2ccccc2[C@@H](C)CC12CCCCC2.
What is the InChIKey of 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone?
The InChIKey is QGUIAXDZUZEACZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-12-17(10-6-3-7-11-17)18(14(2)19)16-9-5-4-8-15(13)16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone?
1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone has a molecular weight of 257.38 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl]ethanone is sourced from PubChem (CID 757904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).