3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole

C12H15N — CID 106985758

IUPAC3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)C(C1CC1)CN2
InChIInChI=1S/C12H15N/c1-8-2-5-12-10(6-8)11(7-13-12)9-3-4-9/h2,5-6,9,11,13H,3-4,7H2,1H3
InChIKeyWPVYXIAYBFUVJS-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.91
Rot. Bonds1

About 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole

3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole (PubChem CID 106985758) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
PubChem CID106985758
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)C(C1CC1)CN2
InChIInChI=1S/C12H15N/c1-8-2-5-12-10(6-8)11(7-13-12)9-3-4-9/h2,5-6,9,11,13H,3-4,7H2,1H3
InChIKeyWPVYXIAYBFUVJS-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
CID 117201827
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
CID 70172969
7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 130774875
4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
CID 71815052
3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820253
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126
3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole
CID 106985855

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole (CID 106985758) is 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole is Cc1ccc2c(c1)C(C1CC1)CN2.
What is the InChIKey of 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is WPVYXIAYBFUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-2-5-12-10(6-8)11(7-13-12)9-3-4-9/h2,5-6,9,11,13H,3-4,7H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole?
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 173.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).