3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone

C12H16N2O — CID 130509710

IUPAC3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
SMILESCCn1cnc(C(=O)C2CC3CC3C2)c1
InChIInChI=1S/C12H16N2O/c1-2-14-6-11(13-7-14)12(15)10-4-8-3-9(8)5-10/h6-10H,2-5H2,1H3
InChIKeyRXGCMJOVQSMIAP-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds3

About 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone

3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone (PubChem CID 130509710) 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-4-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
PubChem CID130509710
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
SMILESCCn1cnc(C(=O)C2CC3CC3C2)c1
InChIInChI=1S/C12H16N2O/c1-2-14-6-11(13-7-14)12(15)10-4-8-3-9(8)5-10/h6-10H,2-5H2,1H3
InChIKeyRXGCMJOVQSMIAP-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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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone (CID 130509710) is 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone is CCn1cnc(C(=O)C2CC3CC3C2)c1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone?
The InChIKey is RXGCMJOVQSMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-14-6-11(13-7-14)12(15)10-4-8-3-9(8)5-10/h6-10H,2-5H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-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-4-yl)methanone is sourced from PubChem (CID 130509710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).