1-(4-hydroxycyclohexyl)azonine-2,9-dione

C14H17NO3 — CID 123873038

IUPAC1-(4-hydroxycyclohexyl)azonine-2,9-dione
SMILESO=C1C=CC=CC=CC(=O)N1C1CCC(O)CC1
InChIInChI=1S/C14H17NO3/c16-12-9-7-11(8-10-12)15-13(17)5-3-1-2-4-6-14(15)18/h1-6,11-12,16H,7-10H2
InChIKeyCGZNLNBOTDPAOI-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.33
Rot. Bonds1

About 1-(4-hydroxycyclohexyl)azonine-2,9-dione

1-(4-hydroxycyclohexyl)azonine-2,9-dione (PubChem CID 123873038) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)azonine-2,9-dione.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)azonine-2,9-dione
PubChem CID123873038
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(4-hydroxycyclohexyl)azonine-2,9-dione
SMILESO=C1C=CC=CC=CC(=O)N1C1CCC(O)CC1
InChIInChI=1S/C14H17NO3/c16-12-9-7-11(8-10-12)15-13(17)5-3-1-2-4-6-14(15)18/h1-6,11-12,16H,7-10H2
InChIKeyCGZNLNBOTDPAOI-UHFFFAOYSA-N
XLogP1.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Hydroxycyclohexyl)pyrrole-2,5-dione
CID 43198820
N-(4-Hydroxycyclohexyl)-N-methylprop-2-enamide
CID 137928740
(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide;propane
CID 142233830
1-(4-Hydroxycyclohexyl)-3-methyl-1H-pyrrole-2,5-dione
CID 43346034
(2E,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
CID 43389279
N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
CID 74880394
1-(4-Hydroxycyclohexyl)pyridin-2-one
CID 84014541
5-Bromo-1-(4-hydroxycyclohexyl)pyridin-2-one
CID 84032282
(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
CID 99891210
(E)-N-(2-hydroxycyclohexyl)-N-methylbut-2-enamide
CID 102631755
N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide
CID 102635038
(2E,4Z,6Z)-N-formyl-N-(4-hydroxycyclohexyl)octa-2,4,6-trienamide
CID 142233831

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)azonine-2,9-dione?
The IUPAC name of 1-(4-hydroxycyclohexyl)azonine-2,9-dione (CID 123873038) is 1-(4-hydroxycyclohexyl)azonine-2,9-dione.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)azonine-2,9-dione?
The canonical SMILES for 1-(4-hydroxycyclohexyl)azonine-2,9-dione is O=C1C=CC=CC=CC(=O)N1C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)azonine-2,9-dione?
The InChIKey is CGZNLNBOTDPAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-9-7-11(8-10-12)15-13(17)5-3-1-2-4-6-14(15)18/h1-6,11-12,16H,7-10H2.
What are the key properties of 1-(4-hydroxycyclohexyl)azonine-2,9-dione?
1-(4-hydroxycyclohexyl)azonine-2,9-dione has a molecular weight of 247.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)azonine-2,9-dione is sourced from PubChem (CID 123873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).