imidazol-1-yl(morpholin-4-yl)methanone

C8H11N3O2 — CID 5230546

IUPACimidazol-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCOCC1)n1ccnc1
InChIInChI=1S/C8H11N3O2/c12-8(11-2-1-9-7-11)10-3-5-13-6-4-10/h1-2,7H,3-6H2
InChIKeyWCRWCPGYKYDSJL-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.18
Rot. Bonds

About imidazol-1-yl(morpholin-4-yl)methanone

imidazol-1-yl(morpholin-4-yl)methanone (PubChem CID 5230546) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is imidazol-1-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl(morpholin-4-yl)methanone
PubChem CID5230546
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Nameimidazol-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCOCC1)n1ccnc1
InChIInChI=1S/C8H11N3O2/c12-8(11-2-1-9-7-11)10-3-5-13-6-4-10/h1-2,7H,3-6H2
InChIKeyWCRWCPGYKYDSJL-UHFFFAOYSA-N
XLogP0.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl(morpholin-4-yl)methanone?
The IUPAC name of imidazol-1-yl(morpholin-4-yl)methanone (CID 5230546) is imidazol-1-yl(morpholin-4-yl)methanone.
What is the SMILES notation for imidazol-1-yl(morpholin-4-yl)methanone?
The canonical SMILES for imidazol-1-yl(morpholin-4-yl)methanone is O=C(N1CCOCC1)n1ccnc1.
What is the InChIKey of imidazol-1-yl(morpholin-4-yl)methanone?
The InChIKey is WCRWCPGYKYDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(11-2-1-9-7-11)10-3-5-13-6-4-10/h1-2,7H,3-6H2.
What are the key properties of imidazol-1-yl(morpholin-4-yl)methanone?
imidazol-1-yl(morpholin-4-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 5230546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).