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

C23H33N — CID 91059771

IUPAC1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC1(C2CCCc3c2[nH]c2ccccc32)CCCCCCCCC1
InChIInChI=1S/C23H33N/c1-23(16-9-5-3-2-4-6-10-17-23)20-14-11-13-19-18-12-7-8-15-21(18)24-22(19)20/h7-8,12,15,20,24H,2-6,9-11,13-14,16-17H2,1H3
InChIKeyMSJWRUGGXHKSJS-UHFFFAOYSA-N
MW323.52 g/mol
LogP7.12
Rot. Bonds1

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

1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 91059771) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID91059771
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC1(C2CCCc3c2[nH]c2ccccc32)CCCCCCCCC1
InChIInChI=1S/C23H33N/c1-23(16-9-5-3-2-4-6-10-17-23)20-14-11-13-19-18-12-7-8-15-21(18)24-22(19)20/h7-8,12,15,20,24H,2-6,9-11,13-14,16-17H2,1H3
InChIKeyMSJWRUGGXHKSJS-UHFFFAOYSA-N
XLogP7.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole (CID 91059771) is 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole is CC1(C2CCCc3c2[nH]c2ccccc32)CCCCCCCCC1.
What is the InChIKey of 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is MSJWRUGGXHKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-23(16-9-5-3-2-4-6-10-17-23)20-14-11-13-19-18-12-7-8-15-21(18)24-22(19)20/h7-8,12,15,20,24H,2-6,9-11,13-14,16-17H2,1H3.
What are the key properties of 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole?
1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 323.52 g/mol, XLogP of 7.12, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 91059771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).