(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone

C14H17NO — CID 116585032

IUPAC(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C14H17NO/c1-9-3-4-10(2)13(7-9)14(16)11-5-6-12(15)8-11/h3-7,11-12H,8,15H2,1-2H3
InChIKeyZPHDWOZRGYCNTK-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone

(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 116585032) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
PubChem CID116585032
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C14H17NO/c1-9-3-4-10(2)13(7-9)14(16)11-5-6-12(15)8-11/h3-7,11-12H,8,15H2,1-2H3
InChIKeyZPHDWOZRGYCNTK-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
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

(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
CID 116584995
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211222
1-(4-aminocyclopent-2-en-1-yl)-2-(3,4-dimethylphenyl)ethanone
CID 116584962
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
(1R,6S)-6-(2,5-dimethylbenzoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 770036
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
CID 114632412
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 115276339

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone (CID 116585032) is (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)C2C=CC(N)C2)c1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is ZPHDWOZRGYCNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-3-4-10(2)13(7-9)14(16)11-5-6-12(15)8-11/h3-7,11-12H,8,15H2,1-2H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone?
(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 215.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116585032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).