(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol

C12H13NO — CID 23645360

IUPAC(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCN[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2/t11-/m1/s1
InChIKeyMQJZMFWAGYASSM-LLVKDONJSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds2

About (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol

(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 23645360) 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-4-ol.

Molecular Properties

Compound Name(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID23645360
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCN[C@@H]1CCc2c(O)cccc21
InChIInChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2/t11-/m1/s1
InChIKeyMQJZMFWAGYASSM-LLVKDONJSA-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-4-ol?
The IUPAC name of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol (CID 23645360) is (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol is C#CCN[C@@H]1CCc2c(O)cccc21.
What is the InChIKey of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MQJZMFWAGYASSM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h1,3-5,11,13-14H,6-8H2/t11-/m1/s1.
What are the key properties of (1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
(1R)-1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-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-4-ol is sourced from PubChem (CID 23645360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).