(3S)-1,3-dimethyl-2,3-dihydroindole

C10H13N — CID 126732143

IUPAC(3S)-1,3-dimethyl-2,3-dihydroindole
SMILESC[C@@H]1CN(C)c2ccccc21
InChIInChI=1S/C10H13N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyMNNJPINCYKGTNO-MRVPVSSYSA-N
MW147.22 g/mol
LogP2.24
Rot. Bonds

About (3S)-1,3-dimethyl-2,3-dihydroindole

(3S)-1,3-dimethyl-2,3-dihydroindole (PubChem CID 126732143) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-2,3-dihydroindole
PubChem CID126732143
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(3S)-1,3-dimethyl-2,3-dihydroindole
SMILESC[C@@H]1CN(C)c2ccccc21
InChIInChI=1S/C10H13N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyMNNJPINCYKGTNO-MRVPVSSYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dicarbine
CID 65684
Indoline
CID 10328
2-(Formylmethylene)-1,3,3-trimethylindoline
CID 1712851
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
N,N,2-Trimethylaniline
CID 11869
2-Methylindoline
CID 23305
Sdz ser-082
CID 9859407
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-2,3-dihydroindole?
The IUPAC name of (3S)-1,3-dimethyl-2,3-dihydroindole (CID 126732143) is (3S)-1,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for (3S)-1,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for (3S)-1,3-dimethyl-2,3-dihydroindole is C[C@@H]1CN(C)c2ccccc21.
What is the InChIKey of (3S)-1,3-dimethyl-2,3-dihydroindole?
The InChIKey is MNNJPINCYKGTNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3S)-1,3-dimethyl-2,3-dihydroindole?
(3S)-1,3-dimethyl-2,3-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 126732143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).