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

C12H13NO — CID 87762274

IUPAC(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN[C@@H]1CCc2cc(O)ccc21
InChIInChI=1S/C12H13NO/c1-2-7-13-12-6-3-9-8-10(14)4-5-11(9)12/h1,4-5,8,12-14H,3,6-7H2/t12-/m1/s1
InChIKeyFWAHICZDXXAZSW-GFCCVEGCSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds2

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

(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 87762274) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID87762274
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN[C@@H]1CCc2cc(O)ccc21
InChIInChI=1S/C12H13NO/c1-2-7-13-12-6-3-9-8-10(14)4-5-11(9)12/h1,4-5,8,12-14H,3,6-7H2/t12-/m1/s1
InChIKeyFWAHICZDXXAZSW-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol (CID 87762274) is (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol is C#CCN[C@@H]1CCc2cc(O)ccc21.
What is the InChIKey of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is FWAHICZDXXAZSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-7-13-12-6-3-9-8-10(14)4-5-11(9)12/h1,4-5,8,12-14H,3,6-7H2/t12-/m1/s1.
What are the key properties of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol?
(1R)-1-(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 (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 87762274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).