(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone

C15H19NO2 — CID 106681762

IUPAC(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19NO2/c1-9-6-10(2)14(13(7-9)18-3)15(17)11-4-5-12(16)8-11/h4-7,11-12H,8,16H2,1-3H3
InChIKeyDKIPGCOVJONZKM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.40
Rot. Bonds3

About (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone

(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106681762) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106681762
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19NO2/c1-9-6-10(2)14(13(7-9)18-3)15(17)11-4-5-12(16)8-11/h4-7,11-12H,8,16H2,1-3H3
InChIKeyDKIPGCOVJONZKM-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
CID 116585032
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968
(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
CID 114241890
(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
CID 116584995
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 106681729
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106681762) is (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)C1C=CC(N)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is DKIPGCOVJONZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-6-10(2)14(13(7-9)18-3)15(17)11-4-5-12(16)8-11/h4-7,11-12H,8,16H2,1-3H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106681762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).