(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole

C13H15N — CID 9350450

IUPAC(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESC[C@@H]1CCCc2[nH]c3ccccc3c21
InChIInChI=1S/C13H15N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-3,6-7,9,14H,4-5,8H2,1H3/t9-/m1/s1
InChIKeyCXYGSAKCLNDSEG-SECBINFHSA-N
MW185.27 g/mol
LogP3.61
Rot. Bonds

About (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole

(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 9350450) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID9350450
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESC[C@@H]1CCCc2[nH]c3ccccc3c21
InChIInChI=1S/C13H15N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-3,6-7,9,14H,4-5,8H2,1H3/t9-/m1/s1
InChIKeyCXYGSAKCLNDSEG-SECBINFHSA-N
XLogP3.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole (CID 9350450) is (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole is C[C@@H]1CCCc2[nH]c3ccccc3c21.
What is the InChIKey of (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is CXYGSAKCLNDSEG-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-3,6-7,9,14H,4-5,8H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole?
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 185.27 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 9350450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).