1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone

C15H19NO — CID 116584962

IUPAC1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2C=CC(N)C2)cc1C
InChIInChI=1S/C15H19NO/c1-10-3-4-12(7-11(10)2)8-15(17)13-5-6-14(16)9-13/h3-7,13-14H,8-9,16H2,1-2H3
InChIKeyQZMVRDXYCDUVIQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone

1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 116584962) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID116584962
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2C=CC(N)C2)cc1C
InChIInChI=1S/C15H19NO/c1-10-3-4-12(7-11(10)2)8-15(17)13-5-6-14(16)9-13/h3-7,13-14H,8-9,16H2,1-2H3
InChIKeyQZMVRDXYCDUVIQ-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924
1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone
CID 116584834
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
CID 114632478
1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584926
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethanone
CID 64986764
1-[1-(aminomethyl)cyclohexyl]-3-(3,4-dimethylphenyl)propan-2-one
CID 116614430
1-(3-amino-4-methylpyrrolidin-1-yl)-2-(3,4-dimethylphenyl)ethanone
CID 103575896
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 64929808

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone (CID 116584962) is 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)C2C=CC(N)C2)cc1C.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is QZMVRDXYCDUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-3-4-12(7-11(10)2)8-15(17)13-5-6-14(16)9-13/h3-7,13-14H,8-9,16H2,1-2H3.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 116584962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).