6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C18H19ClN2O3 — CID 119174471

IUPAC6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCn1c(C(=O)N2CCC3(CC2)CC3C(=O)O)c(Cl)c2ccccc21
InChIInChI=1S/C18H19ClN2O3/c1-20-13-5-3-2-4-11(13)14(19)15(20)16(22)21-8-6-18(7-9-21)10-12(18)17(23)24/h2-5,12H,6-10H2,1H3,(H,23,24)
InChIKeyVMSMGKWIIONVBV-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.16
Rot. Bonds2

About 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174471) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174471
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCn1c(C(=O)N2CCC3(CC2)CC3C(=O)O)c(Cl)c2ccccc21
InChIInChI=1S/C18H19ClN2O3/c1-20-13-5-3-2-4-11(13)14(19)15(20)16(22)21-8-6-18(7-9-21)10-12(18)17(23)24/h2-5,12H,6-10H2,1H3,(H,23,24)
InChIKeyVMSMGKWIIONVBV-UHFFFAOYSA-N
XLogP3.16
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid
CID 124696894
1-(3-chloro-1-methylindole-2-carbonyl)-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 138049378
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
6-(4-chloro-2-fluorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 131963262
(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94200604
N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
CID 86829245
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595
6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514628
6-(3-chloropyridine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514677
6-(2-nitrobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175382
6-(3,6-difluoro-2-methoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514739
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174471) is 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Cn1c(C(=O)N2CCC3(CC2)CC3C(=O)O)c(Cl)c2ccccc21.
What is the InChIKey of 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is VMSMGKWIIONVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-20-13-5-3-2-4-11(13)14(19)15(20)16(22)21-8-6-18(7-9-21)10-12(18)17(23)24/h2-5,12H,6-10H2,1H3,(H,23,24).
What are the key properties of 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 346.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).