4,8a-dihydro-1H-carbazole

C12H11N — CID 57177752

IUPAC4,8a-dihydro-1H-carbazole
SMILESC1=CC2=C3CC=CCC3=NC2C=C1
InChIInChI=1S/C12H11N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-5,7,11H,6,8H2
InChIKeyIAFRNUZWVLAVLC-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.58
Rot. Bonds

About 4,8a-dihydro-1H-carbazole

4,8a-dihydro-1H-carbazole (PubChem CID 57177752) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 4,8a-dihydro-1H-carbazole.

Molecular Properties

Compound Name4,8a-dihydro-1H-carbazole
PubChem CID57177752
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name4,8a-dihydro-1H-carbazole
SMILESC1=CC2=C3CC=CCC3=NC2C=C1
InChIInChI=1S/C12H11N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-5,7,11H,6,8H2
InChIKeyIAFRNUZWVLAVLC-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8a-dihydro-1H-carbazole?
The IUPAC name of 4,8a-dihydro-1H-carbazole (CID 57177752) is 4,8a-dihydro-1H-carbazole.
What is the SMILES notation for 4,8a-dihydro-1H-carbazole?
The canonical SMILES for 4,8a-dihydro-1H-carbazole is C1=CC2=C3CC=CCC3=NC2C=C1.
What is the InChIKey of 4,8a-dihydro-1H-carbazole?
The InChIKey is IAFRNUZWVLAVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-5,7,11H,6,8H2.
What are the key properties of 4,8a-dihydro-1H-carbazole?
4,8a-dihydro-1H-carbazole has a molecular weight of 169.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8a-dihydro-1H-carbazole is sourced from PubChem (CID 57177752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).