2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole

C18H22N2 — CID 158613443

IUPAC2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole
SMILESCC1Cc2ccccc2N1.CN1Cc2ccccc2C1
InChIInChI=1S/2C9H11N/c1-10-6-8-4-2-3-5-9(8)7-10;1-7-6-8-4-2-3-5-9(8)10-7/h2-5H,6-7H2,1H3;2-5,7,10H,6H2,1H3
InChIKeyHXCPBVBMYICJDV-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.68
Rot. Bonds

About 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole

2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole (PubChem CID 158613443) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole
PubChem CID158613443
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole
SMILESCC1Cc2ccccc2N1.CN1Cc2ccccc2C1
InChIInChI=1S/2C9H11N/c1-10-6-8-4-2-3-5-9(8)7-10;1-7-6-8-4-2-3-5-9(8)10-7/h2-5H,6-7H2,1H3;2-5,7,10H,6H2,1H3
InChIKeyHXCPBVBMYICJDV-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
formic acid;2-methyl-2,3-dihydro-1H-indole
CID 144722451
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712
(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
CID 58984785
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165467715
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole (CID 158613443) is 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole is CC1Cc2ccccc2N1.CN1Cc2ccccc2C1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole?
The InChIKey is HXCPBVBMYICJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N/c1-10-6-8-4-2-3-5-9(8)7-10;1-7-6-8-4-2-3-5-9(8)10-7/h2-5H,6-7H2,1H3;2-5,7,10H,6H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole?
2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole has a molecular weight of 266.39 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 158613443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).