5-methoxy-1-prop-2-ynylindole

C12H11NO — CID 45091362

IUPAC5-methoxy-1-prop-2-ynylindole
SMILESC#CCn1ccc2cc(OC)ccc21
InChIInChI=1S/C12H11NO/c1-3-7-13-8-6-10-9-11(14-2)4-5-12(10)13/h1,4-6,8-9H,7H2,2H3
InChIKeyFCFIBKAWAUDRJG-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.28
Rot. Bonds2

About 5-methoxy-1-prop-2-ynylindole

5-methoxy-1-prop-2-ynylindole (PubChem CID 45091362) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-methoxy-1-prop-2-ynylindole.

Molecular Properties

Compound Name5-methoxy-1-prop-2-ynylindole
PubChem CID45091362
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-methoxy-1-prop-2-ynylindole
SMILESC#CCn1ccc2cc(OC)ccc21
InChIInChI=1S/C12H11NO/c1-3-7-13-8-6-10-9-11(14-2)4-5-12(10)13/h1,4-6,8-9H,7H2,2H3
InChIKeyFCFIBKAWAUDRJG-UHFFFAOYSA-N
XLogP2.28
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
5-methoxy-1-methylindole
CID 819864
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
(4-methylphenyl)-(1-prop-2-ynylindol-5-yl)methanone
CID 134352760

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-prop-2-ynylindole?
The IUPAC name of 5-methoxy-1-prop-2-ynylindole (CID 45091362) is 5-methoxy-1-prop-2-ynylindole.
What is the SMILES notation for 5-methoxy-1-prop-2-ynylindole?
The canonical SMILES for 5-methoxy-1-prop-2-ynylindole is C#CCn1ccc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-prop-2-ynylindole?
The InChIKey is FCFIBKAWAUDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-7-13-8-6-10-9-11(14-2)4-5-12(10)13/h1,4-6,8-9H,7H2,2H3.
What are the key properties of 5-methoxy-1-prop-2-ynylindole?
5-methoxy-1-prop-2-ynylindole has a molecular weight of 185.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-prop-2-ynylindole is sourced from PubChem (CID 45091362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).