7-ethyl-1-prop-2-ynylindole

C13H13N — CID 116618856

IUPAC7-ethyl-1-prop-2-ynylindole
SMILESC#CCn1ccc2cccc(CC)c21
InChIInChI=1S/C13H13N/c1-3-9-14-10-8-12-7-5-6-11(4-2)13(12)14/h1,5-8,10H,4,9H2,2H3
InChIKeyIFCPNGAUFMQERA-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.84
Rot. Bonds2

About 7-ethyl-1-prop-2-ynylindole

7-ethyl-1-prop-2-ynylindole (PubChem CID 116618856) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-ethyl-1-prop-2-ynylindole.

Molecular Properties

Compound Name7-ethyl-1-prop-2-ynylindole
PubChem CID116618856
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name7-ethyl-1-prop-2-ynylindole
SMILESC#CCn1ccc2cccc(CC)c21
InChIInChI=1S/C13H13N/c1-3-9-14-10-8-12-7-5-6-11(4-2)13(12)14/h1,5-8,10H,4,9H2,2H3
InChIKeyIFCPNGAUFMQERA-UHFFFAOYSA-N
XLogP2.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
7-iodo-1-prop-2-ynylindole
CID 119089202
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
CID 116790673
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-prop-2-ynylindole?
The IUPAC name of 7-ethyl-1-prop-2-ynylindole (CID 116618856) is 7-ethyl-1-prop-2-ynylindole.
What is the SMILES notation for 7-ethyl-1-prop-2-ynylindole?
The canonical SMILES for 7-ethyl-1-prop-2-ynylindole is C#CCn1ccc2cccc(CC)c21.
What is the InChIKey of 7-ethyl-1-prop-2-ynylindole?
The InChIKey is IFCPNGAUFMQERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-9-14-10-8-12-7-5-6-11(4-2)13(12)14/h1,5-8,10H,4,9H2,2H3.
What are the key properties of 7-ethyl-1-prop-2-ynylindole?
7-ethyl-1-prop-2-ynylindole has a molecular weight of 183.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-prop-2-ynylindole is sourced from PubChem (CID 116618856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).