3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone

C12H16N2O — CID 114973016

IUPAC3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1CC2CC2C1
InChIInChI=1S/C12H16N2O/c1-2-14-4-3-13-12(14)11(15)10-6-8-5-9(8)7-10/h3-4,8-10H,2,5-7H2,1H3
InChIKeyAYRBXXLVMJSVDI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds3

About 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone

3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone (PubChem CID 114973016) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
PubChem CID114973016
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1CC2CC2C1
InChIInChI=1S/C12H16N2O/c1-2-14-4-3-13-12(14)11(15)10-6-8-5-9(8)7-10/h3-4,8-10H,2,5-7H2,1H3
InChIKeyAYRBXXLVMJSVDI-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-ethylimidazol-2-yl)methanone
CID 116580834
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576
(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methanone
CID 114973031
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
(1-ethylimidazol-2-yl)-morpholin-3-ylmethanone
CID 116576330
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone (CID 114973016) is 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone?
The InChIKey is AYRBXXLVMJSVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-14-4-3-13-12(14)11(15)10-6-8-5-9(8)7-10/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone has a molecular weight of 204.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 114973016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).