3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol

C13H15NO — CID 10214459

IUPAC3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESC#CCN(C)C1CCc2cccc(O)c21
InChIInChI=1S/C13H15NO/c1-3-9-14(2)11-8-7-10-5-4-6-12(15)13(10)11/h1,4-6,11,15H,7-9H2,2H3
InChIKeyBTTBIZBMYHKJTB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds2

About 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol

3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 10214459) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID10214459
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESC#CCN(C)C1CCc2cccc(O)c21
InChIInChI=1S/C13H15NO/c1-3-9-14(2)11-8-7-10-5-4-6-12(15)13(10)11/h1,4-6,11,15H,7-9H2,2H3
InChIKeyBTTBIZBMYHKJTB-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol (CID 10214459) is 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol is C#CCN(C)C1CCc2cccc(O)c21.
What is the InChIKey of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BTTBIZBMYHKJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-9-14(2)11-8-7-10-5-4-6-12(15)13(10)11/h1,4-6,11,15H,7-9H2,2H3.
What are the key properties of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol?
3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 201.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 10214459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).