(5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one

C15H18N2O — CID 122695068

IUPAC(5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one
SMILESC/N=C(/C1=C(N)C[C@@H](C)CC1=O)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-10-8-12(16)14(13(18)9-10)15(17-2)11-6-4-3-5-7-11/h3-7,10H,8-9,16H2,1-2H3/b17-15+/t10-/m1/s1
InChIKeyCGEYKGOZEQHOIB-OZEUQTTQSA-N
MW242.32 g/mol
LogP2.32
Rot. Bonds2

About (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one

(5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one (PubChem CID 122695068) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one
PubChem CID122695068
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one
SMILESC/N=C(/C1=C(N)C[C@@H](C)CC1=O)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-10-8-12(16)14(13(18)9-10)15(17-2)11-6-4-3-5-7-11/h3-7,10H,8-9,16H2,1-2H3/b17-15+/t10-/m1/s1
InChIKeyCGEYKGOZEQHOIB-OZEUQTTQSA-N
XLogP2.32
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.32
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 (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one (CID 122695068) is (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one is C/N=C(/C1=C(N)C[C@@H](C)CC1=O)c1ccccc1.
What is the InChIKey of (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one?
The InChIKey is CGEYKGOZEQHOIB-OZEUQTTQSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-8-12(16)14(13(18)9-10)15(17-2)11-6-4-3-5-7-11/h3-7,10H,8-9,16H2,1-2H3/b17-15+/t10-/m1/s1.
What are the key properties of (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one?
(5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-amino-5-methyl-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one is sourced from PubChem (CID 122695068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).