4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C16H23NO2 — CID 123235590

IUPAC4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1CC1CCCCC1)C1CCC2C1
InChIInChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-12,18-19H,1-9H2
InChIKeyGOIWLIUYAMBGHC-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.84
Rot. Bonds2

About 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 123235590) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID123235590
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1CC1CCCCC1)C1CCC2C1
InChIInChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-12,18-19H,1-9H2
InChIKeyGOIWLIUYAMBGHC-UHFFFAOYSA-N
XLogP3.84
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Fluoro-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 123233301
4-Hydroxy-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90980669
4-(3-Methyl-1-phenylbut-3-en-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53672297
4-(2-Ethylheptyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53684006
4-Octan-3-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53714096
4-(2-Ethylhexyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53715431
8,9-Dimethyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 53738803
4-Pent-4-en-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53751710
4-(1-Phenylpent-4-en-2-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53767095
[3-(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl)cyclohexyl]methyl methanesulfonate
CID 53768730
4-[6-(3,5-Dihydroxy-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)hexyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 53805122
3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-4-carbonitrile
CID 53807520

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 123235590) is 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1CC1CCCCC1)C1CCC2C1.
What is the InChIKey of 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is GOIWLIUYAMBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-12,18-19H,1-9H2.
What are the key properties of 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 261.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 123235590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).