(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol

C12H13NO — CID 5289289

IUPAC(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN[C@@H]1CCc2ccc(O)cc21
InChIInChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
InChIKeyNRSDGDXUWMMUEV-GFCCVEGCSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds2

About (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol

(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 5289289) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID5289289
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN[C@@H]1CCc2ccc(O)cc21
InChIInChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
InChIKeyNRSDGDXUWMMUEV-GFCCVEGCSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol (CID 5289289) is (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol is C#CCN[C@@H]1CCc2ccc(O)cc21.
What is the InChIKey of (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is NRSDGDXUWMMUEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1.
What are the key properties of (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 187.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 5289289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).