3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one

C15H19N3O2 — CID 54353865

IUPAC3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
SMILESCCN1C(=O)N(N=Cc2ccccc2)C2CC(O)CC21
InChIInChI=1S/C15H19N3O2/c1-2-17-13-8-12(19)9-14(13)18(15(17)20)16-10-11-6-4-3-5-7-11/h3-7,10,12-14,19H,2,8-9H2,1H3
InChIKeyUHSFVXYCNYGHBB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.67
Rot. Bonds3

About 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one

3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one (PubChem CID 54353865) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one.

Molecular Properties

Compound Name3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
PubChem CID54353865
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
SMILESCCN1C(=O)N(N=Cc2ccccc2)C2CC(O)CC21
InChIInChI=1S/C15H19N3O2/c1-2-17-13-8-12(19)9-14(13)18(15(17)20)16-10-11-6-4-3-5-7-11/h3-7,10,12-14,19H,2,8-9H2,1H3
InChIKeyUHSFVXYCNYGHBB-UHFFFAOYSA-N
XLogP1.67
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
The IUPAC name of 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one (CID 54353865) is 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one.
What is the SMILES notation for 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
The canonical SMILES for 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one is CCN1C(=O)N(N=Cc2ccccc2)C2CC(O)CC21.
What is the InChIKey of 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
The InChIKey is UHSFVXYCNYGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-17-13-8-12(19)9-14(13)18(15(17)20)16-10-11-6-4-3-5-7-11/h3-7,10,12-14,19H,2,8-9H2,1H3.
What are the key properties of 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one?
3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one is sourced from PubChem (CID 54353865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).