[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone

C13H13Cl2N3O — CID 139371774

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)C1
InChIInChI=1S/C13H13Cl2N3O/c14-9-3-7-4-12(17-11(7)5-10(9)15)13(19)18-2-1-8(16)6-18/h3-5,8,17H,1-2,6,16H2/t8-/m1/s1
InChIKeyJQLNNHJVESCXDJ-MRVPVSSYSA-N
MW298.17 g/mol
LogP2.65
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone (PubChem CID 139371774) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
PubChem CID139371774
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)C1
InChIInChI=1S/C13H13Cl2N3O/c14-9-3-7-4-12(17-11(7)5-10(9)15)13(19)18-2-1-8(16)6-18/h3-5,8,17H,1-2,6,16H2/t8-/m1/s1
InChIKeyJQLNNHJVESCXDJ-MRVPVSSYSA-N
XLogP2.65
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119411202
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 119410376
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone (CID 139371774) is [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone is N[C@@H]1CCN(C(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone?
The InChIKey is JQLNNHJVESCXDJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-3-7-4-12(17-11(7)5-10(9)15)13(19)18-2-1-8(16)6-18/h3-5,8,17H,1-2,6,16H2/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone has a molecular weight of 298.17 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone is sourced from PubChem (CID 139371774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).