6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole

C16H21N — CID 65335228

IUPAC6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc2[nH]c3c(c2c1)CC(C(C)C)CC3
InChIInChI=1S/C16H21N/c1-10(2)12-5-7-16-14(9-12)13-8-11(3)4-6-15(13)17-16/h4,6,8,10,12,17H,5,7,9H2,1-3H3
InChIKeyUSGVHQCZSWXXFT-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.24
Rot. Bonds1

About 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole

6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 65335228) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID65335228
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc2[nH]c3c(c2c1)CC(C(C)C)CC3
InChIInChI=1S/C16H21N/c1-10(2)12-5-7-16-14(9-12)13-8-11(3)4-6-15(13)17-16/h4,6,8,10,12,17H,5,7,9H2,1-3H3
InChIKeyUSGVHQCZSWXXFT-UHFFFAOYSA-N
XLogP4.24
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.24
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 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole (CID 65335228) is 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole is Cc1ccc2[nH]c3c(c2c1)CC(C(C)C)CC3.
What is the InChIKey of 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is USGVHQCZSWXXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-10(2)12-5-7-16-14(9-12)13-8-11(3)4-6-15(13)17-16/h4,6,8,10,12,17H,5,7,9H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole?
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 227.35 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 65335228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).