3-amino-2-benzylcyclohex-2-en-1-one

C13H15NO — CID 11206449

IUPAC3-amino-2-benzylcyclohex-2-en-1-one
SMILESNC1=C(Cc2ccccc2)C(=O)CCC1
InChIInChI=1S/C13H15NO/c14-12-7-4-8-13(15)11(12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
InChIKeyYSFODLGEUVBCTB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.19
Rot. Bonds2

About 3-amino-2-benzylcyclohex-2-en-1-one

3-amino-2-benzylcyclohex-2-en-1-one (PubChem CID 11206449) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-2-benzylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-2-benzylcyclohex-2-en-1-one
PubChem CID11206449
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-amino-2-benzylcyclohex-2-en-1-one
SMILESNC1=C(Cc2ccccc2)C(=O)CCC1
InChIInChI=1S/C13H15NO/c14-12-7-4-8-13(15)11(12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
InChIKeyYSFODLGEUVBCTB-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-hydroxy-3-phenylpropylidene)cyclohexane-1,3-dione
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3-benzyl-4-(bromomethyl)furan-2,5-dione
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3-amino-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one
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phenyl(113C)methylbenzene
CID 11194569
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CID 11574595
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3-hydroxy-2-[1-(2-hydroxy-6-oxocyclohexen-1-yl)-2-phenylethyl]cyclohex-2-en-1-one
CID 171979446
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzylcyclohex-2-en-1-one?
The IUPAC name of 3-amino-2-benzylcyclohex-2-en-1-one (CID 11206449) is 3-amino-2-benzylcyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-2-benzylcyclohex-2-en-1-one?
The canonical SMILES for 3-amino-2-benzylcyclohex-2-en-1-one is NC1=C(Cc2ccccc2)C(=O)CCC1.
What is the InChIKey of 3-amino-2-benzylcyclohex-2-en-1-one?
The InChIKey is YSFODLGEUVBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-12-7-4-8-13(15)11(12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2.
What are the key properties of 3-amino-2-benzylcyclohex-2-en-1-one?
3-amino-2-benzylcyclohex-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzylcyclohex-2-en-1-one is sourced from PubChem (CID 11206449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).