3-(oxolan-3-yl)-1H-indole

C12H13NO — CID 146673552

IUPAC3-(oxolan-3-yl)-1H-indole
SMILESc1ccc2c(C3CCOC3)c[nH]c2c1
InChIInChI=1S/C12H13NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-4,7,9,13H,5-6,8H2
InChIKeyHXHNSAFXWIMHON-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.67
Rot. Bonds1

About 3-(oxolan-3-yl)-1H-indole

3-(oxolan-3-yl)-1H-indole (PubChem CID 146673552) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1H-indole
PubChem CID146673552
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-(oxolan-3-yl)-1H-indole
SMILESc1ccc2c(C3CCOC3)c[nH]c2c1
InChIInChI=1S/C12H13NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-4,7,9,13H,5-6,8H2
InChIKeyHXHNSAFXWIMHON-UHFFFAOYSA-N
XLogP2.67
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3-[(3R)-oxolan-3-yl]-1H-indole
CID 124928109
methane;3-piperidin-4-yl-1H-indole
CID 70444570
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(oxan-2-yl)-1H-indole
CID 174577844
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
4-(oxolan-3-yl)-1H-benzimidazole
CID 59279276
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1H-indole?
The IUPAC name of 3-(oxolan-3-yl)-1H-indole (CID 146673552) is 3-(oxolan-3-yl)-1H-indole.
What is the SMILES notation for 3-(oxolan-3-yl)-1H-indole?
The canonical SMILES for 3-(oxolan-3-yl)-1H-indole is c1ccc2c(C3CCOC3)c[nH]c2c1.
What is the InChIKey of 3-(oxolan-3-yl)-1H-indole?
The InChIKey is HXHNSAFXWIMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-4,7,9,13H,5-6,8H2.
What are the key properties of 3-(oxolan-3-yl)-1H-indole?
3-(oxolan-3-yl)-1H-indole has a molecular weight of 187.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1H-indole is sourced from PubChem (CID 146673552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).