4-imidazol-1-yloxycyclohexan-1-one

C9H12N2O2 — CID 138676553

IUPAC4-imidazol-1-yloxycyclohexan-1-one
SMILESO=C1CCC(On2ccnc2)CC1
InChIInChI=1S/C9H12N2O2/c12-8-1-3-9(4-2-8)13-11-6-5-10-7-11/h5-7,9H,1-4H2
InChIKeyONVAPJOMHKRVPT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.82
Rot. Bonds2

About 4-imidazol-1-yloxycyclohexan-1-one

4-imidazol-1-yloxycyclohexan-1-one (PubChem CID 138676553) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-imidazol-1-yloxycyclohexan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yloxycyclohexan-1-one
PubChem CID138676553
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-imidazol-1-yloxycyclohexan-1-one
SMILESO=C1CCC(On2ccnc2)CC1
InChIInChI=1S/C9H12N2O2/c12-8-1-3-9(4-2-8)13-11-6-5-10-7-11/h5-7,9H,1-4H2
InChIKeyONVAPJOMHKRVPT-UHFFFAOYSA-N
XLogP0.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yloxycyclohexan-1-one?
The IUPAC name of 4-imidazol-1-yloxycyclohexan-1-one (CID 138676553) is 4-imidazol-1-yloxycyclohexan-1-one.
What is the SMILES notation for 4-imidazol-1-yloxycyclohexan-1-one?
The canonical SMILES for 4-imidazol-1-yloxycyclohexan-1-one is O=C1CCC(On2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yloxycyclohexan-1-one?
The InChIKey is ONVAPJOMHKRVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-1-3-9(4-2-8)13-11-6-5-10-7-11/h5-7,9H,1-4H2.
What are the key properties of 4-imidazol-1-yloxycyclohexan-1-one?
4-imidazol-1-yloxycyclohexan-1-one has a molecular weight of 180.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yloxycyclohexan-1-one is sourced from PubChem (CID 138676553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).