3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol

C13H15NO — CID 23645321

IUPAC3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN(C)C1CCc2ccc(O)cc21
InChIInChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3
InChIKeyAXIKLEVFYDZYKE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds2

About 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol

3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 23645321) 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-5-ol.

Molecular Properties

Compound Name3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID23645321
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN(C)C1CCc2ccc(O)cc21
InChIInChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3
InChIKeyAXIKLEVFYDZYKE-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': '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-5-ol?
The IUPAC name of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 23645321) is 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol is C#CCN(C)C1CCc2ccc(O)cc21.
What is the InChIKey of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is AXIKLEVFYDZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3.
What are the key properties of 3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-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-5-ol is sourced from PubChem (CID 23645321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).