3-amino-11H-benzo[a]carbazol-2-ol

C16H12N2O — CID 135394460

IUPAC3-amino-11H-benzo[a]carbazol-2-ol
SMILESNc1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C16H12N2O/c17-13-7-9-5-6-11-10-3-1-2-4-14(10)18-16(11)12(9)8-15(13)19/h1-8,18-19H,17H2
InChIKeyNKDWQEHTYAYWQQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.76
Rot. Bonds

About 3-amino-11H-benzo[a]carbazol-2-ol

3-amino-11H-benzo[a]carbazol-2-ol (PubChem CID 135394460) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-11H-benzo[a]carbazol-2-ol.

Molecular Properties

Compound Name3-amino-11H-benzo[a]carbazol-2-ol
PubChem CID135394460
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name3-amino-11H-benzo[a]carbazol-2-ol
SMILESNc1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIInChI=1S/C16H12N2O/c17-13-7-9-5-6-11-10-3-1-2-4-14(10)18-16(11)12(9)8-15(13)19/h1-8,18-19H,17H2
InChIKeyNKDWQEHTYAYWQQ-UHFFFAOYSA-N
XLogP3.76
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
CID 19933809
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495996
2-(2-hydroxy-11H-benzo[a]carbazol-3-yl)-N-(4-methoxyphenyl)acetamide
CID 139771930
2-hydroxy-11H-benzo[a]carbazole-1-carboxamide
CID 66614517
5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol
CID 67906968
7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223157
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate
CID 67915904

Frequently Asked Questions

What is the IUPAC name of 3-amino-11H-benzo[a]carbazol-2-ol?
The IUPAC name of 3-amino-11H-benzo[a]carbazol-2-ol (CID 135394460) is 3-amino-11H-benzo[a]carbazol-2-ol.
What is the SMILES notation for 3-amino-11H-benzo[a]carbazol-2-ol?
The canonical SMILES for 3-amino-11H-benzo[a]carbazol-2-ol is Nc1cc2ccc3c4ccccc4[nH]c3c2cc1O.
What is the InChIKey of 3-amino-11H-benzo[a]carbazol-2-ol?
The InChIKey is NKDWQEHTYAYWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-13-7-9-5-6-11-10-3-1-2-4-14(10)18-16(11)12(9)8-15(13)19/h1-8,18-19H,17H2.
What are the key properties of 3-amino-11H-benzo[a]carbazol-2-ol?
3-amino-11H-benzo[a]carbazol-2-ol has a molecular weight of 248.29 g/mol, XLogP of 3.76, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-11H-benzo[a]carbazol-2-ol is sourced from PubChem (CID 135394460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).