9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid

C14H17NO2 — CID 105489583

IUPAC9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
SMILESCc1cccc2c1N1CC(C(=O)O)CC1CC2
InChIInChI=1S/C14H17NO2/c1-9-3-2-4-10-5-6-12-7-11(14(16)17)8-15(12)13(9)10/h2-4,11-12H,5-8H2,1H3,(H,16,17)
InChIKeyNOGHCKAYOWXLIN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.22
Rot. Bonds1

About 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid

9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid (PubChem CID 105489583) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
PubChem CID105489583
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
SMILESCc1cccc2c1N1CC(C(=O)O)CC1CC2
InChIInChI=1S/C14H17NO2/c1-9-3-2-4-10-5-6-12-7-11(14(16)17)8-15(12)13(9)10/h2-4,11-12H,5-8H2,1H3,(H,16,17)
InChIKeyNOGHCKAYOWXLIN-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
CID 105470355
8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
CID 105492570
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
2,8-dimethyl-1-prop-1-en-2-yl-3,4-dihydro-2H-quinoline
CID 126663737
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84624968
3-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
CID 107112275
3-(2,6-dimethylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010267
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 117003708
8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 117051012
9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid
CID 105495987

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
The IUPAC name of 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid (CID 105489583) is 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid.
What is the SMILES notation for 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
The canonical SMILES for 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid is Cc1cccc2c1N1CC(C(=O)O)CC1CC2.
What is the InChIKey of 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
The InChIKey is NOGHCKAYOWXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-3-2-4-10-5-6-12-7-11(14(16)17)8-15(12)13(9)10/h2-4,11-12H,5-8H2,1H3,(H,16,17).
What are the key properties of 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid is sourced from PubChem (CID 105489583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).