1-(ethynylamino)-3H-inden-5-ol

C11H9NO — CID 142005767

IUPAC1-(ethynylamino)-3H-inden-5-ol
SMILESC#CNC1=CCc2cc(O)ccc21
InChIInChI=1S/C11H9NO/c1-2-12-11-6-3-8-7-9(13)4-5-10(8)11/h1,4-7,12-13H,3H2
InChIKeyBTVLCEWLNVAYBT-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.47
Rot. Bonds1

About 1-(ethynylamino)-3H-inden-5-ol

1-(ethynylamino)-3H-inden-5-ol (PubChem CID 142005767) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(ethynylamino)-3H-inden-5-ol.

Molecular Properties

Compound Name1-(ethynylamino)-3H-inden-5-ol
PubChem CID142005767
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-(ethynylamino)-3H-inden-5-ol
SMILESC#CNC1=CCc2cc(O)ccc21
InChIInChI=1S/C11H9NO/c1-2-12-11-6-3-8-7-9(13)4-5-10(8)11/h1,4-7,12-13H,3H2
InChIKeyBTVLCEWLNVAYBT-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylaminomethyl)-3H-inden-5-ol
CID 105436179
1-[1-(methylamino)ethyl]-3H-inden-5-ol
CID 105443743
9,10-dihydrophenanthrene-2,6-diol
CID 163031531
5-oxo-6H-benzo[c]thiochromene-3,8-diol
CID 164598559
2,2-bis(6-hydroxy-3H-inden-1-yl)acetonitrile;propanenitrile
CID 67584119
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
ethane;9H-fluoren-2-ol
CID 91146688
9,10-dihydrophenanthren-2-ol;ethane
CID 91093084
3-(2-aminoethyl)-1H-inden-5-ol
CID 59866718
6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
CID 115025100
bis(benzene-1,3-diol);methane
CID 70633400
3H-inden-5-ol
CID 21274580

Frequently Asked Questions

What is the IUPAC name of 1-(ethynylamino)-3H-inden-5-ol?
The IUPAC name of 1-(ethynylamino)-3H-inden-5-ol (CID 142005767) is 1-(ethynylamino)-3H-inden-5-ol.
What is the SMILES notation for 1-(ethynylamino)-3H-inden-5-ol?
The canonical SMILES for 1-(ethynylamino)-3H-inden-5-ol is C#CNC1=CCc2cc(O)ccc21.
What is the InChIKey of 1-(ethynylamino)-3H-inden-5-ol?
The InChIKey is BTVLCEWLNVAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-12-11-6-3-8-7-9(13)4-5-10(8)11/h1,4-7,12-13H,3H2.
What are the key properties of 1-(ethynylamino)-3H-inden-5-ol?
1-(ethynylamino)-3H-inden-5-ol has a molecular weight of 171.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethynylamino)-3H-inden-5-ol is sourced from PubChem (CID 142005767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).