(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride

C14H18ClN3O — CID 118988631

IUPAC(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride
SMILESCl.[2H]C([2H])([2H])N[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
InChIInChI=1S/C14H17N3O.ClH/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1H/t9-;/m1./s1/i1D3;
InChIKeyVJFWRVTVFIHPAR-AXHFJGNISA-N
MW282.79 g/mol
LogP1.77
Rot. Bonds3

About (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride

(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride (PubChem CID 118988631) has the molecular formula C14H18ClN3O and a molecular weight of 282.79 g/mol. Its IUPAC name is (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride
PubChem CID118988631
Molecular FormulaC14H18ClN3O
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride
SMILESCl.[2H]C([2H])([2H])N[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
InChIInChI=1S/C14H17N3O.ClH/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1H/t9-;/m1./s1/i1D3;
InChIKeyVJFWRVTVFIHPAR-AXHFJGNISA-N
XLogP1.77
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride?
The IUPAC name of (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride (CID 118988631) is (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride.
What is the SMILES notation for (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride?
The canonical SMILES for (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride is Cl.[2H]C([2H])([2H])N[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.
What is the InChIKey of (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride?
The InChIKey is VJFWRVTVFIHPAR-AXHFJGNISA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1H/t9-;/m1./s1/i1D3;.
What are the key properties of (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride?
(6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride has a molecular weight of 282.79 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 118988631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).