6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol

C12H13NO — CID 126733806

IUPAC6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC=C1C1=NC=CCC=C1
InChIInChI=1S/C12H13NO/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11/h2,5-9,14H,1,3-4H2
InChIKeyUIZPJUXCBANYHZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.06
Rot. Bonds1

About 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol

6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol (PubChem CID 126733806) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
PubChem CID126733806
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC=C1C1=NC=CCC=C1
InChIInChI=1S/C12H13NO/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11/h2,5-9,14H,1,3-4H2
InChIKeyUIZPJUXCBANYHZ-UHFFFAOYSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Dihydroxyindole
CID 68530239
(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol
CID 91927647
10-Azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol
CID 22065877
3-Benzazocin-10-ol
CID 90759616
4H-2-benzazepin-6-ol
CID 91266198
7H-indol-5-ol
CID 97295155
(5Z)-6-ethenylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-ol
CID 132135412
3,9-dihydro-2H-cyclohepta[b]pyridin-8-ol
CID 132196700
4H-1,2-benzodiazepin-6-ol
CID 135771438
2-methyl-2H-indol-4-ol
CID 135829455
2H-1-benzazepin-6-ol
CID 136375733
Pyrrolo[3,2-a]carbazol-6-ol
CID 136451929

Frequently Asked Questions

What is the IUPAC name of 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol (CID 126733806) is 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol is OC1=CCCC=C1C1=NC=CCC=C1.
What is the InChIKey of 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol?
The InChIKey is UIZPJUXCBANYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11/h2,5-9,14H,1,3-4H2.
What are the key properties of 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol?
6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol has a molecular weight of 187.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 126733806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).