2-methyl-4,4a-dihydro-3H-carbazole

C13H13N — CID 67586605

IUPAC2-methyl-4,4a-dihydro-3H-carbazole
SMILESCC1=CC2=Nc3ccccc3C2CC1
InChIInChI=1S/C13H13N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-5,8,11H,6-7H2,1H3
InChIKeyZZMBKHUAVJTPDE-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.60
Rot. Bonds

About 2-methyl-4,4a-dihydro-3H-carbazole

2-methyl-4,4a-dihydro-3H-carbazole (PubChem CID 67586605) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-4,4a-dihydro-3H-carbazole.

Molecular Properties

Compound Name2-methyl-4,4a-dihydro-3H-carbazole
PubChem CID67586605
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-methyl-4,4a-dihydro-3H-carbazole
SMILESCC1=CC2=Nc3ccccc3C2CC1
InChIInChI=1S/C13H13N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-5,8,11H,6-7H2,1H3
InChIKeyZZMBKHUAVJTPDE-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4a-dihydro-3H-carbazole?
The IUPAC name of 2-methyl-4,4a-dihydro-3H-carbazole (CID 67586605) is 2-methyl-4,4a-dihydro-3H-carbazole.
What is the SMILES notation for 2-methyl-4,4a-dihydro-3H-carbazole?
The canonical SMILES for 2-methyl-4,4a-dihydro-3H-carbazole is CC1=CC2=Nc3ccccc3C2CC1.
What is the InChIKey of 2-methyl-4,4a-dihydro-3H-carbazole?
The InChIKey is ZZMBKHUAVJTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-methyl-4,4a-dihydro-3H-carbazole?
2-methyl-4,4a-dihydro-3H-carbazole has a molecular weight of 183.25 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4a-dihydro-3H-carbazole is sourced from PubChem (CID 67586605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).