1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one

C11H20N3O+ — CID 163502913

IUPAC1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one
SMILESC=C[N+]1(C)CCN([C@@H]2CCCNC2)C1=O
InChIInChI=1S/C11H20N3O/c1-3-14(2)8-7-13(11(14)15)10-5-4-6-12-9-10/h3,10,12H,1,4-9H2,2H3/q+1/t10-,14?/m1/s1
InChIKeyDGJWWEGRQUCRET-IAPIXIRKSA-N
MW210.30 g/mol
LogP0.76
Rot. Bonds2

About 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one

1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one (PubChem CID 163502913) has the molecular formula C11H20N3O+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one.

Molecular Properties

Compound Name1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one
PubChem CID163502913
Molecular FormulaC11H20N3O+
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC Name1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one
SMILESC=C[N+]1(C)CCN([C@@H]2CCCNC2)C1=O
InChIInChI=1S/C11H20N3O/c1-3-14(2)8-7-13(11(14)15)10-5-4-6-12-9-10/h3,10,12H,1,4-9H2,2H3/q+1/t10-,14?/m1/s1
InChIKeyDGJWWEGRQUCRET-IAPIXIRKSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one?
The IUPAC name of 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one (CID 163502913) is 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one.
What is the SMILES notation for 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one?
The canonical SMILES for 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one is C=C[N+]1(C)CCN([C@@H]2CCCNC2)C1=O.
What is the InChIKey of 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one?
The InChIKey is DGJWWEGRQUCRET-IAPIXIRKSA-N. The full InChI is InChI=1S/C11H20N3O/c1-3-14(2)8-7-13(11(14)15)10-5-4-6-12-9-10/h3,10,12H,1,4-9H2,2H3/q+1/t10-,14?/m1/s1.
What are the key properties of 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one?
1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one has a molecular weight of 210.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methyl-3-[(3R)-piperidin-3-yl]imidazolidin-1-ium-2-one is sourced from PubChem (CID 163502913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).