2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole

C16H17N — CID 87766675

IUPAC2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole
SMILESc1ccc2c(c1)=NC1=C3CCCCC3CCC=21
InChIInChI=1S/C16H17N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyRNXFSIDDMXCXBJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.71
Rot. Bonds

About 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole

2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole (PubChem CID 87766675) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole
PubChem CID87766675
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole
SMILESc1ccc2c(c1)=NC1=C3CCCCC3CCC=21
InChIInChI=1S/C16H17N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyRNXFSIDDMXCXBJ-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole (CID 87766675) is 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole is c1ccc2c(c1)=NC1=C3CCCCC3CCC=21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole?
The InChIKey is RNXFSIDDMXCXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole?
2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole has a molecular weight of 223.32 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole is sourced from PubChem (CID 87766675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).