1H-indol-5-yl pentanoate

C13H15NO2 — CID 174735386

IUPAC1H-indol-5-yl pentanoate
SMILESCCCCC(=O)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15NO2/c1-2-3-4-13(15)16-11-5-6-12-10(9-11)7-8-14-12/h5-9,14H,2-4H2,1H3
InChIKeyKSTGZDNGRVMFMW-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.26
Rot. Bonds4

About 1H-indol-5-yl pentanoate

1H-indol-5-yl pentanoate (PubChem CID 174735386) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1H-indol-5-yl pentanoate.

Molecular Properties

Compound Name1H-indol-5-yl pentanoate
PubChem CID174735386
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1H-indol-5-yl pentanoate
SMILESCCCCC(=O)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15NO2/c1-2-3-4-13(15)16-11-5-6-12-10(9-11)7-8-14-12/h5-9,14H,2-4H2,1H3
InChIKeyKSTGZDNGRVMFMW-UHFFFAOYSA-N
XLogP3.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(6-hexanoyloxy-1H-indol-5-yl) hexanoate
CID 19890464
5-heptoxy-1H-indole
CID 80642434
2-(1H-indol-5-yloxycarbonyl)pentanoic acid
CID 130275684
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
(3,4-dimethylphenyl) octanoate
CID 91711444
5-propan-2-yloxy-1H-indole
CID 16738054
(6-cyanonaphthalen-2-yl) heptanoate
CID 22217405
(6-cyanonaphthalen-2-yl) decanoate
CID 597944
[3,5-di(octanoyloxy)phenyl] octanoate
CID 89239822

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl pentanoate?
The IUPAC name of 1H-indol-5-yl pentanoate (CID 174735386) is 1H-indol-5-yl pentanoate.
What is the SMILES notation for 1H-indol-5-yl pentanoate?
The canonical SMILES for 1H-indol-5-yl pentanoate is CCCCC(=O)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-yl pentanoate?
The InChIKey is KSTGZDNGRVMFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-4-13(15)16-11-5-6-12-10(9-11)7-8-14-12/h5-9,14H,2-4H2,1H3.
What are the key properties of 1H-indol-5-yl pentanoate?
1H-indol-5-yl pentanoate has a molecular weight of 217.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl pentanoate is sourced from PubChem (CID 174735386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).