1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol

C14H17NO — CID 43189533

IUPAC1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C14H17NO/c1-4-7-15-11-8-10(3)13-9(2)5-6-12(16)14(11)13/h1,5-6,10-11,15-16H,7-8H2,2-3H3
InChIKeyGUJSMWVMZHZCQM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.47
Rot. Bonds2

About 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43189533) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43189533
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
SMILESC#CCNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C14H17NO/c1-4-7-15-11-8-10(3)13-9(2)5-6-12(16)14(11)13/h1,5-6,10-11,15-16H,7-8H2,2-3H3
InChIKeyGUJSMWVMZHZCQM-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
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 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol (CID 43189533) is 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol is C#CCNC1CC(C)c2c(C)ccc(O)c21.
What is the InChIKey of 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is GUJSMWVMZHZCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-7-15-11-8-10(3)13-9(2)5-6-12(16)14(11)13/h1,5-6,10-11,15-16H,7-8H2,2-3H3.
What are the key properties of 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 215.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43189533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).