cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone

C13H18N2O — CID 103450449

IUPACcyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H18N2O/c1-2-15-10-9-14-13(15)12(16)11-7-5-3-4-6-8-11/h7,9-10H,2-6,8H2,1H3
InChIKeyLSFMFSMQYGPSBO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.98
Rot. Bonds3

About cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone

cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone (PubChem CID 103450449) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
PubChem CID103450449
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H18N2O/c1-2-15-10-9-14-13(15)12(16)11-7-5-3-4-6-8-11/h7,9-10H,2-6,8H2,1H3
InChIKeyLSFMFSMQYGPSBO-UHFFFAOYSA-N
XLogP2.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone (CID 103450449) is cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone?
The InChIKey is LSFMFSMQYGPSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15-10-9-14-13(15)12(16)11-7-5-3-4-6-8-11/h7,9-10H,2-6,8H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone?
cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 103450449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).