(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

C14H15ClN2O — CID 84639028

IUPAC(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)C1CCCN1
InChIInChI=1S/C14H15ClN2O/c1-8-13(14(18)11-3-2-6-16-11)10-5-4-9(15)7-12(10)17-8/h4-5,7,11,16-17H,2-3,6H2,1H3
InChIKeyKNCVEODNDFTZMK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.06
Rot. Bonds2

About (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (PubChem CID 84639028) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
PubChem CID84639028
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)C1CCCN1
InChIInChI=1S/C14H15ClN2O/c1-8-13(14(18)11-3-2-6-16-11)10-5-4-9(15)7-12(10)17-8/h4-5,7,11,16-17H,2-3,6H2,1H3
InChIKeyKNCVEODNDFTZMK-UHFFFAOYSA-N
XLogP3.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 98034370
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873
1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
CID 82501190
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone
CID 81429349
2-(6-chloro-1H-benzimidazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 159456574
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (CID 84639028) is (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is Cc1[nH]c2cc(Cl)ccc2c1C(=O)C1CCCN1.
What is the InChIKey of (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is KNCVEODNDFTZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-8-13(14(18)11-3-2-6-16-11)10-5-4-9(15)7-12(10)17-8/h4-5,7,11,16-17H,2-3,6H2,1H3.
What are the key properties of (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 262.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 84639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).