4H-2-benzazepin-6-ol

C10H9NO — CID 91266198

IUPAC4H-2-benzazepin-6-ol
SMILESOc1cccc2c1=CCC=NC=2
InChIInChI=1S/C10H9NO/c12-10-5-1-3-8-7-11-6-2-4-9(8)10/h1,3-7,12H,2H2
InChIKeyIGYCFRVDPQAUMS-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.39
Rot. Bonds

About 4H-2-benzazepin-6-ol

4H-2-benzazepin-6-ol (PubChem CID 91266198) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4H-2-benzazepin-6-ol.

Molecular Properties

Compound Name4H-2-benzazepin-6-ol
PubChem CID91266198
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4H-2-benzazepin-6-ol
SMILESOc1cccc2c1=CCC=NC=2
InChIInChI=1S/C10H9NO/c12-10-5-1-3-8-7-11-6-2-4-9(8)10/h1,3-7,12H,2H2
InChIKeyIGYCFRVDPQAUMS-UHFFFAOYSA-N
XLogP0.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Benzazocin-10-ol
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6-(4H-azepin-7-yl)cyclohexa-1,5-dien-1-ol
CID 126733806
Indeno[1,2-c]pyrrole-5,6-diol;hydrobromide
CID 141550511
(3Z)-4-methylidene-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol
CID 142030210
4-Ethenyl-6,6-dimethylazepin-3-ol
CID 143288855
(6E,7E)-7-prop-2-enylidene-6-propylideneisoquinoline-5,8-diol
CID 145195522
4H-isoquinolin-4a-ol
CID 150283728
2H-1,4-benzodiazepin-6-ol
CID 161610404
3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol
CID 166486549
5-(1-hydroxyethenyl)-3H-azepin-7-ol
CID 169949790
Indeno[1,2-c]pyrrole-5,6-diol
CID 141550512

Frequently Asked Questions

What is the IUPAC name of 4H-2-benzazepin-6-ol?
The IUPAC name of 4H-2-benzazepin-6-ol (CID 91266198) is 4H-2-benzazepin-6-ol.
What is the SMILES notation for 4H-2-benzazepin-6-ol?
The canonical SMILES for 4H-2-benzazepin-6-ol is Oc1cccc2c1=CCC=NC=2.
What is the InChIKey of 4H-2-benzazepin-6-ol?
The InChIKey is IGYCFRVDPQAUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-5-1-3-8-7-11-6-2-4-9(8)10/h1,3-7,12H,2H2.
What are the key properties of 4H-2-benzazepin-6-ol?
4H-2-benzazepin-6-ol has a molecular weight of 159.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-2-benzazepin-6-ol is sourced from PubChem (CID 91266198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).