(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one

C12H13ClN2O — CID 169025511

IUPAC(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
SMILESCN[C@H](C)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O/c1-7(14-2)12(16)10-6-15-11-4-3-8(13)5-9(10)11/h3-7,14-15H,1-2H3/t7-/m1/s1
InChIKeyJNYZOLQTXCZJRL-SSDOTTSWSA-N
MW236.70 g/mol
LogP2.61
Rot. Bonds3

About (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one

(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one (PubChem CID 169025511) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
PubChem CID169025511
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
SMILESCN[C@H](C)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O/c1-7(14-2)12(16)10-6-15-11-4-3-8(13)5-9(10)11/h3-7,14-15H,1-2H3/t7-/m1/s1
InChIKeyJNYZOLQTXCZJRL-SSDOTTSWSA-N
XLogP2.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
CID 162765558
CID 162765558
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one?
The IUPAC name of (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one (CID 169025511) is (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one is CN[C@H](C)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one?
The InChIKey is JNYZOLQTXCZJRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(14-2)12(16)10-6-15-11-4-3-8(13)5-9(10)11/h3-7,14-15H,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one?
(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one has a molecular weight of 236.70 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 169025511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).