(2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole

C9H10ClN — CID 68677002

IUPAC(2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C9H10ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m1/s1
InChIKeyLFMPGQVKFLTDCT-ZCFIWIBFSA-N
MW167.64 g/mol
LogP2.70
Rot. Bonds

About (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole

(2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole (PubChem CID 68677002) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole
PubChem CID68677002
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@@H]1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C9H10ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m1/s1
InChIKeyLFMPGQVKFLTDCT-ZCFIWIBFSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole (CID 68677002) is (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole is C[C@@H]1Cc2cc(Cl)ccc2N1.
What is the InChIKey of (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is LFMPGQVKFLTDCT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole?
(2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 167.64 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 68677002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).