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

C13H18N2O — CID 115783536

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CC2CC2C1
InChIInChI=1S/C13H18N2O/c1-2-15-4-3-14-13(15)8-12(16)11-6-9-5-10(9)7-11/h3-4,9-11H,2,5-8H2,1H3
InChIKeyNETSCAACRXFALR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.06
Rot. Bonds4

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

1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 115783536) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID115783536
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CC2CC2C1
InChIInChI=1S/C13H18N2O/c1-2-15-4-3-14-13(15)8-12(16)11-6-9-5-10(9)7-11/h3-4,9-11H,2,5-8H2,1H3
InChIKeyNETSCAACRXFALR-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-2-yl)methanone
CID 114973016
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-(1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79972065
1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 116584210
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 115783536) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is NETSCAACRXFALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15-4-3-14-13(15)8-12(16)11-6-9-5-10(9)7-11/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 115783536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).