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

C10H12ClN — CID 95430825

IUPAC(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
SMILESCC[C@H]1CNc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-5,7,12H,2,6H2,1H3/t7-/m0/s1
InChIKeyVZTYLFFPCDWMIU-ZETCQYMHSA-N
MW181.67 g/mol
LogP3.26
Rot. Bonds1

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

(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole (PubChem CID 95430825) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
PubChem CID95430825
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
SMILESCC[C@H]1CNc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-5,7,12H,2,6H2,1H3/t7-/m0/s1
InChIKeyVZTYLFFPCDWMIU-ZETCQYMHSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
CID 112711571
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
(4S)-6-chloro-4-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 86325815
3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 112721951
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole (CID 95430825) is (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole is CC[C@H]1CNc2ccc(Cl)cc21.
What is the InChIKey of (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole?
The InChIKey is VZTYLFFPCDWMIU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-5,7,12H,2,6H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole?
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole has a molecular weight of 181.67 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 95430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).