ethene;1-(imidazole-1-carbonyl)piperidin-4-one

C11H15N3O2 — CID 67569256

IUPACethene;1-(imidazole-1-carbonyl)piperidin-4-one
SMILESC=C.O=C1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C9H11N3O2.C2H4/c13-8-1-4-11(5-2-8)9(14)12-6-3-10-7-12;1-2/h3,6-7H,1-2,4-5H2;1-2H2
InChIKeyJHTANGNJKXDPPW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds

About ethene;1-(imidazole-1-carbonyl)piperidin-4-one

ethene;1-(imidazole-1-carbonyl)piperidin-4-one (PubChem CID 67569256) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethene;1-(imidazole-1-carbonyl)piperidin-4-one.

Molecular Properties

Compound Nameethene;1-(imidazole-1-carbonyl)piperidin-4-one
PubChem CID67569256
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethene;1-(imidazole-1-carbonyl)piperidin-4-one
SMILESC=C.O=C1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C9H11N3O2.C2H4/c13-8-1-4-11(5-2-8)9(14)12-6-3-10-7-12;1-2/h3,6-7H,1-2,4-5H2;1-2H2
InChIKeyJHTANGNJKXDPPW-UHFFFAOYSA-N
XLogP1.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-(imidazole-1-carbonyl)piperidin-4-one?
The IUPAC name of ethene;1-(imidazole-1-carbonyl)piperidin-4-one (CID 67569256) is ethene;1-(imidazole-1-carbonyl)piperidin-4-one.
What is the SMILES notation for ethene;1-(imidazole-1-carbonyl)piperidin-4-one?
The canonical SMILES for ethene;1-(imidazole-1-carbonyl)piperidin-4-one is C=C.O=C1CCN(C(=O)n2ccnc2)CC1.
What is the InChIKey of ethene;1-(imidazole-1-carbonyl)piperidin-4-one?
The InChIKey is JHTANGNJKXDPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.C2H4/c13-8-1-4-11(5-2-8)9(14)12-6-3-10-7-12;1-2/h3,6-7H,1-2,4-5H2;1-2H2.
What are the key properties of ethene;1-(imidazole-1-carbonyl)piperidin-4-one?
ethene;1-(imidazole-1-carbonyl)piperidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(imidazole-1-carbonyl)piperidin-4-one is sourced from PubChem (CID 67569256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).