3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one

C19H23NO2 — CID 135537366

IUPAC3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one
SMILESC=CC/N=C(\CCC)C1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C19H23NO2/c1-3-8-16(20-11-4-2)19-17(21)12-15(13-18(19)22)14-9-6-5-7-10-14/h4-7,9-10,15,21H,2-3,8,11-13H2,1H3/b20-16+
InChIKeyWWJSERZURYPSNT-CAPFRKAQSA-N
MW297.40 g/mol
LogP4.37
Rot. Bonds6

About 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one

3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one (PubChem CID 135537366) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one
PubChem CID135537366
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one
SMILESC=CC/N=C(\CCC)C1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C19H23NO2/c1-3-8-16(20-11-4-2)19-17(21)12-15(13-18(19)22)14-9-6-5-7-10-14/h4-7,9-10,15,21H,2-3,8,11-13H2,1H3/b20-16+
InChIKeyWWJSERZURYPSNT-CAPFRKAQSA-N
XLogP4.37
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one (CID 135537366) is 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one is C=CC/N=C(\CCC)C1=C(O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one?
The InChIKey is WWJSERZURYPSNT-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-8-16(20-11-4-2)19-17(21)12-15(13-18(19)22)14-9-6-5-7-10-14/h4-7,9-10,15,21H,2-3,8,11-13H2,1H3/b20-16+.
What are the key properties of 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one?
3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one has a molecular weight of 297.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one is sourced from PubChem (CID 135537366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).