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

C14H17NO — CID 175854073

IUPAC2-ethyl-3-(oxolan-3-yl)-1H-indole
SMILESCCc1[nH]c2ccccc2c1C1CCOC1
InChIInChI=1S/C14H17NO/c1-2-12-14(10-7-8-16-9-10)11-5-3-4-6-13(11)15-12/h3-6,10,15H,2,7-9H2,1H3
InChIKeyAFAVAOUJVRHBRE-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.23
Rot. Bonds2

About 2-ethyl-3-(oxolan-3-yl)-1H-indole

2-ethyl-3-(oxolan-3-yl)-1H-indole (PubChem CID 175854073) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-ethyl-3-(oxolan-3-yl)-1H-indole.

Molecular Properties

Compound Name2-ethyl-3-(oxolan-3-yl)-1H-indole
PubChem CID175854073
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-ethyl-3-(oxolan-3-yl)-1H-indole
SMILESCCc1[nH]c2ccccc2c1C1CCOC1
InChIInChI=1S/C14H17NO/c1-2-12-14(10-7-8-16-9-10)11-5-3-4-6-13(11)15-12/h3-6,10,15H,2,7-9H2,1H3
InChIKeyAFAVAOUJVRHBRE-UHFFFAOYSA-N
XLogP3.23
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(oxan-4-yl)-1H-indole
CID 156814176
3-(oxolan-3-yl)-1H-indole
CID 146673552
2,3-diethyl-1H-indole;hydrate
CID 70606554
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584
(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272785
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
(3R)-3-phenyloxolane
CID 92859476
2-ethyl-3-(trifluoromethyl)-1H-indole
CID 147285687
bis(9H-carbazole);propane
CID 90987002
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
3-ethyl-2-propyl-1H-indole
CID 65335384
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(oxolan-3-yl)-1H-indole?
The IUPAC name of 2-ethyl-3-(oxolan-3-yl)-1H-indole (CID 175854073) is 2-ethyl-3-(oxolan-3-yl)-1H-indole.
What is the SMILES notation for 2-ethyl-3-(oxolan-3-yl)-1H-indole?
The canonical SMILES for 2-ethyl-3-(oxolan-3-yl)-1H-indole is CCc1[nH]c2ccccc2c1C1CCOC1.
What is the InChIKey of 2-ethyl-3-(oxolan-3-yl)-1H-indole?
The InChIKey is AFAVAOUJVRHBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-12-14(10-7-8-16-9-10)11-5-3-4-6-13(11)15-12/h3-6,10,15H,2,7-9H2,1H3.
What are the key properties of 2-ethyl-3-(oxolan-3-yl)-1H-indole?
2-ethyl-3-(oxolan-3-yl)-1H-indole has a molecular weight of 215.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(oxolan-3-yl)-1H-indole is sourced from PubChem (CID 175854073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).