9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C19H15N3O4 — CID 134375939

IUPAC9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O)c(N(O)O)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C19H15N3O4/c1-19(2)12-7-15(23)14(22(25)26)6-11(12)17(24)16-10-4-3-9(8-20)5-13(10)21-18(16)19/h3-7,21,23,25-26H,1-2H3
InChIKeyCEUUWPPZRWVJGQ-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.20
Rot. Bonds1

About 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 134375939) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID134375939
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(O)c(N(O)O)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C19H15N3O4/c1-19(2)12-7-15(23)14(22(25)26)6-11(12)17(24)16-10-4-3-9(8-20)5-13(10)21-18(16)19/h3-7,21,23,25-26H,1-2H3
InChIKeyCEUUWPPZRWVJGQ-UHFFFAOYSA-N
XLogP3.20
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
CID 135211199
8-hydroxy-6,6-dimethyl-9-morpholin-4-ylsulfinyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 134375929
6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
CID 66834393
8-methoxy-6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
CID 66834471
2-(3-cyano-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-9-yl)propanoic acid
CID 142767141
N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834421
6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 54578542
9-ethyl-6,6-dimethyl-11-oxo-8-thiophen-2-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 127040596
9-bromo-6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 54578771
8-(2-methoxyethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834055
3-cyano-6,6-dimethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonic acid
CID 142767153
8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834106

Frequently Asked Questions

What is the IUPAC name of 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 134375939) is 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(O)c(N(O)O)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is CEUUWPPZRWVJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-19(2)12-7-15(23)14(22(25)26)6-11(12)17(24)16-10-4-3-9(8-20)5-13(10)21-18(16)19/h3-7,21,23,25-26H,1-2H3.
What are the key properties of 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 349.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 134375939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).