1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid

C13H15NO2 — CID 84682733

IUPAC1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCN1CCC2(CC2C(=O)O)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-14-7-6-13(8-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3,(H,15,16)
InChIKeyJNRRTZMRTORPES-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.87
Rot. Bonds1

About 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid

1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 84682733) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid
PubChem CID84682733
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCN1CCC2(CC2C(=O)O)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-14-7-6-13(8-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3,(H,15,16)
InChIKeyJNRRTZMRTORPES-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105472206
[4-(aminomethyl)-1-methyl-2,3-dihydroquinolin-4-yl]methanol
CID 83854326
(4S)-4-benzyl-1-methyl-2,3-dihydroquinolin-4-ol
CID 125493981
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978
1-(2'-deuterio-1'-methylspiro[cyclopropane-1,3'-indole]-2'-yl)ethanone
CID 175752740
(3S,4S)-4-methyl-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952248
1-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117487174
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782
(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380060
1,4,4-trimethyl-3-methylidene-2H-quinoline
CID 142604520

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid (CID 84682733) is 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid is CN1CCC2(CC2C(=O)O)c2ccccc21.
What is the InChIKey of 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is JNRRTZMRTORPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-7-6-13(8-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,10H,6-8H2,1H3,(H,15,16).
What are the key properties of 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid?
1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 84682733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).