8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C21H19N3O2 — CID 66833792

IUPAC8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OCCN)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C21H19N3O2/c1-21(2)16-10-13(26-8-7-22)4-6-14(16)19(25)18-15-5-3-12(11-23)9-17(15)24-20(18)21/h3-6,9-10,24H,7-8,22H2,1-2H3
InChIKeyUXBFRNQTNRAQNS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.25
Rot. Bonds3

About 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66833792) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66833792
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OCCN)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C21H19N3O2/c1-21(2)16-10-13(26-8-7-22)4-6-14(16)19(25)18-15-5-3-12(11-23)9-17(15)24-20(18)21/h3-6,9-10,24H,7-8,22H2,1-2H3
InChIKeyUXBFRNQTNRAQNS-UHFFFAOYSA-N
XLogP3.25
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66833792) is 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(OCCN)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is UXBFRNQTNRAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-21(2)16-10-13(26-8-7-22)4-6-14(16)19(25)18-15-5-3-12(11-23)9-17(15)24-20(18)21/h3-6,9-10,24H,7-8,22H2,1-2H3.
What are the key properties of 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 345.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66833792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).