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

C17H23NO — CID 116618876

IUPAC7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
SMILESCCc1cccc2ccn(CCCC3CCCO3)c12
InChIInChI=1S/C17H23NO/c1-2-14-6-3-7-15-10-12-18(17(14)15)11-4-8-16-9-5-13-19-16/h3,6-7,10,12,16H,2,4-5,8-9,11,13H2,1H3
InChIKeyZZPUJUYJVWLDAZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.16
Rot. Bonds5

About 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole

7-ethyl-1-[3-(oxolan-2-yl)propyl]indole (PubChem CID 116618876) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole.

Molecular Properties

Compound Name7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
PubChem CID116618876
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
SMILESCCc1cccc2ccn(CCCC3CCCO3)c12
InChIInChI=1S/C17H23NO/c1-2-14-6-3-7-15-10-12-18(17(14)15)11-4-8-16-9-5-13-19-16/h3,6-7,10,12,16H,2,4-5,8-9,11,13H2,1H3
InChIKeyZZPUJUYJVWLDAZ-UHFFFAOYSA-N
XLogP4.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115
2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
CID 116623986
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrol-2-yl]ethanamine
CID 79102539
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole?
The IUPAC name of 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole (CID 116618876) is 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole.
What is the SMILES notation for 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole?
The canonical SMILES for 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole is CCc1cccc2ccn(CCCC3CCCO3)c12.
What is the InChIKey of 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole?
The InChIKey is ZZPUJUYJVWLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-14-6-3-7-15-10-12-18(17(14)15)11-4-8-16-9-5-13-19-16/h3,6-7,10,12,16H,2,4-5,8-9,11,13H2,1H3.
What are the key properties of 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole?
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole has a molecular weight of 257.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-[3-(oxolan-2-yl)propyl]indole is sourced from PubChem (CID 116618876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).