(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone

C13H15NO — CID 116584995

IUPAC(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H15NO/c1-9-4-2-3-5-12(9)13(15)10-6-7-11(14)8-10/h2-7,10-11H,8,14H2,1H3
InChIKeyQDRPAQBGTQEFFF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.08
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone

(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone (PubChem CID 116584995) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
PubChem CID116584995
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H15NO/c1-9-4-2-3-5-12(9)13(15)10-6-7-11(14)8-10/h2-7,10-11H,8,14H2,1H3
InChIKeyQDRPAQBGTQEFFF-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210479
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
2-(2-methylbenzoyl)cyclohexane-1,3-dione
CID 14301714
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
2-methylbenzamide;molecular hydrogen
CID 177161283

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone (CID 116584995) is (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)C1C=CC(N)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone?
The InChIKey is QDRPAQBGTQEFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-4-2-3-5-12(9)13(15)10-6-7-11(14)8-10/h2-7,10-11H,8,14H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone?
(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone has a molecular weight of 201.27 g/mol, XLogP of 2.08, 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-methylphenyl)methanone is sourced from PubChem (CID 116584995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).