2,3,4,11-tetrahydro-1H-benzo[a]carbazole

C16H15N — CID 11593764

IUPAC2,3,4,11-tetrahydro-1H-benzo[a]carbazole
SMILESc1ccc2c(c1)[nH]c1c3c(ccc12)CCCC3
InChIInChI=1S/C16H15N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-10,17H,1-2,5-6H2
InChIKeyOOCBASGHISDDOY-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.20
Rot. Bonds

About 2,3,4,11-tetrahydro-1H-benzo[a]carbazole

2,3,4,11-tetrahydro-1H-benzo[a]carbazole (PubChem CID 11593764) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,3,4,11-tetrahydro-1H-benzo[a]carbazole.

Molecular Properties

Compound Name2,3,4,11-tetrahydro-1H-benzo[a]carbazole
PubChem CID11593764
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2,3,4,11-tetrahydro-1H-benzo[a]carbazole
SMILESc1ccc2c(c1)[nH]c1c3c(ccc12)CCCC3
InChIInChI=1S/C16H15N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-10,17H,1-2,5-6H2
InChIKeyOOCBASGHISDDOY-UHFFFAOYSA-N
XLogP4.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,11-tetrahydro-1H-benzo[a]carbazole?
The IUPAC name of 2,3,4,11-tetrahydro-1H-benzo[a]carbazole (CID 11593764) is 2,3,4,11-tetrahydro-1H-benzo[a]carbazole.
What is the SMILES notation for 2,3,4,11-tetrahydro-1H-benzo[a]carbazole?
The canonical SMILES for 2,3,4,11-tetrahydro-1H-benzo[a]carbazole is c1ccc2c(c1)[nH]c1c3c(ccc12)CCCC3.
What is the InChIKey of 2,3,4,11-tetrahydro-1H-benzo[a]carbazole?
The InChIKey is OOCBASGHISDDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h3-4,7-10,17H,1-2,5-6H2.
What are the key properties of 2,3,4,11-tetrahydro-1H-benzo[a]carbazole?
2,3,4,11-tetrahydro-1H-benzo[a]carbazole has a molecular weight of 221.30 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,11-tetrahydro-1H-benzo[a]carbazole is sourced from PubChem (CID 11593764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).