5-methyl-6,7-dihydro-2H-indole;propane

C12H19N — CID 143259638

IUPAC5-methyl-6,7-dihydro-2H-indole;propane
SMILESCC1=CC2=CCN=C2CC1.CCC
InChIInChI=1S/C9H11N.C3H8/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2/h4,6H,2-3,5H2,1H3;3H2,1-2H3
InChIKeyOJADLIUBIJTVKR-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.52
Rot. Bonds

About 5-methyl-6,7-dihydro-2H-indole;propane

5-methyl-6,7-dihydro-2H-indole;propane (PubChem CID 143259638) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-2H-indole;propane.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-2H-indole;propane
PubChem CID143259638
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-methyl-6,7-dihydro-2H-indole;propane
SMILESCC1=CC2=CCN=C2CC1.CCC
InChIInChI=1S/C9H11N.C3H8/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2/h4,6H,2-3,5H2,1H3;3H2,1-2H3
InChIKeyOJADLIUBIJTVKR-UHFFFAOYSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Indole
CID 19013146
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
4-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)-3,5-dimethyl-2H-pyrrole
CID 156281232
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
5-fluoro-3-methyl-2H-indole
CID 95046937
7-methyl-2H-indole
CID 13640031
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
3,6,7-trimethyl-4,5-dihydro-1H-cyclopenta[c]pyridine
CID 20647168

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-2H-indole;propane?
The IUPAC name of 5-methyl-6,7-dihydro-2H-indole;propane (CID 143259638) is 5-methyl-6,7-dihydro-2H-indole;propane.
What is the SMILES notation for 5-methyl-6,7-dihydro-2H-indole;propane?
The canonical SMILES for 5-methyl-6,7-dihydro-2H-indole;propane is CC1=CC2=CCN=C2CC1.CCC.
What is the InChIKey of 5-methyl-6,7-dihydro-2H-indole;propane?
The InChIKey is OJADLIUBIJTVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C3H8/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2/h4,6H,2-3,5H2,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-6,7-dihydro-2H-indole;propane?
5-methyl-6,7-dihydro-2H-indole;propane has a molecular weight of 177.29 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-2H-indole;propane is sourced from PubChem (CID 143259638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).