2-methyl-1-[3-(oxolan-2-yl)propyl]indole

C16H21NO — CID 65165792

IUPAC2-methyl-1-[3-(oxolan-2-yl)propyl]indole
SMILESCc1cc2ccccc2n1CCCC1CCCO1
InChIInChI=1S/C16H21NO/c1-13-12-14-6-2-3-9-16(14)17(13)10-4-7-15-8-5-11-18-15/h2-3,6,9,12,15H,4-5,7-8,10-11H2,1H3
InChIKeyZSSULKVZFUAYEL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds4

About 2-methyl-1-[3-(oxolan-2-yl)propyl]indole

2-methyl-1-[3-(oxolan-2-yl)propyl]indole (PubChem CID 65165792) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-1-[3-(oxolan-2-yl)propyl]indole.

Molecular Properties

Compound Name2-methyl-1-[3-(oxolan-2-yl)propyl]indole
PubChem CID65165792
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-methyl-1-[3-(oxolan-2-yl)propyl]indole
SMILESCc1cc2ccccc2n1CCCC1CCCO1
InChIInChI=1S/C16H21NO/c1-13-12-14-6-2-3-9-16(14)17(13)10-4-7-15-8-5-11-18-15/h2-3,6,9,12,15H,4-5,7-8,10-11H2,1H3
InChIKeyZSSULKVZFUAYEL-UHFFFAOYSA-N
XLogP3.91
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
2-methyl-1-tetradecylindole
CID 19869962
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
2-[2-(2-methylindol-1-yl)ethyl]cyclopentan-1-one
CID 79569634
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
CID 65163089
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
CID 116623986
[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine
CID 79102539
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propyl]indole?
The IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propyl]indole (CID 65165792) is 2-methyl-1-[3-(oxolan-2-yl)propyl]indole.
What is the SMILES notation for 2-methyl-1-[3-(oxolan-2-yl)propyl]indole?
The canonical SMILES for 2-methyl-1-[3-(oxolan-2-yl)propyl]indole is Cc1cc2ccccc2n1CCCC1CCCO1.
What is the InChIKey of 2-methyl-1-[3-(oxolan-2-yl)propyl]indole?
The InChIKey is ZSSULKVZFUAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13-12-14-6-2-3-9-16(14)17(13)10-4-7-15-8-5-11-18-15/h2-3,6,9,12,15H,4-5,7-8,10-11H2,1H3.
What are the key properties of 2-methyl-1-[3-(oxolan-2-yl)propyl]indole?
2-methyl-1-[3-(oxolan-2-yl)propyl]indole has a molecular weight of 243.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(oxolan-2-yl)propyl]indole is sourced from PubChem (CID 65165792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).