1-[(5,5-dimethyloxolan-2-yl)methyl]indole

C15H19NO — CID 116524108

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]indole
SMILESCC1(C)CCC(Cn2ccc3ccccc32)O1
InChIInChI=1S/C15H19NO/c1-15(2)9-7-13(17-15)11-16-10-8-12-5-3-4-6-14(12)16/h3-6,8,10,13H,7,9,11H2,1-2H3
InChIKeyJHKOJJZBLMIGJC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.60
Rot. Bonds2

About 1-[(5,5-dimethyloxolan-2-yl)methyl]indole

1-[(5,5-dimethyloxolan-2-yl)methyl]indole (PubChem CID 116524108) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]indole.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]indole
PubChem CID116524108
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]indole
SMILESCC1(C)CCC(Cn2ccc3ccccc32)O1
InChIInChI=1S/C15H19NO/c1-15(2)9-7-13(17-15)11-16-10-8-12-5-3-4-6-14(12)16/h3-6,8,10,13H,7,9,11H2,1-2H3
InChIKeyJHKOJJZBLMIGJC-UHFFFAOYSA-N
XLogP3.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indole
CID 102901040
5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116619600
1-[(5,5-dimethyloxolan-2-yl)methyl]-6-nitroindole
CID 116621009
1-[(5,5-dimethyloxolan-2-yl)methyl]indole-6-carbothioamide
CID 107917461
4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 103428444
1-[(5,5-dimethyloxolan-2-yl)methyl]indole-2-carboxylic acid
CID 116522323
3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one
CID 116521766
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]indol-3-yl]-N-methylethanamine
CID 116524206
4-(indol-1-ylmethyl)-1,3-dioxolan-2-one
CID 121011576
1-(piperidin-4-ylmethyl)indole
CID 18538689
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 116523943

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]indole (CID 116524108) is 1-[(5,5-dimethyloxolan-2-yl)methyl]indole.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]indole is CC1(C)CCC(Cn2ccc3ccccc32)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
The InChIKey is JHKOJJZBLMIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2)9-7-13(17-15)11-16-10-8-12-5-3-4-6-14(12)16/h3-6,8,10,13H,7,9,11H2,1-2H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]indole?
1-[(5,5-dimethyloxolan-2-yl)methyl]indole has a molecular weight of 229.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]indole is sourced from PubChem (CID 116524108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).