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

C14H17NO — CID 116584924

IUPAC1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1C=CC(N)C1
InChIInChI=1S/C14H17NO/c1-10-4-2-3-5-11(10)9-14(16)12-6-7-13(15)8-12/h2-7,12-13H,8-9,15H2,1H3
InChIKeyNLTVHBPVKMTANI-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.01
Rot. Bonds3

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

1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 116584924) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID116584924
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1C=CC(N)C1
InChIInChI=1S/C14H17NO/c1-10-4-2-3-5-11(10)9-14(16)12-6-7-13(15)8-12/h2-7,12-13H,8-9,15H2,1H3
InChIKeyNLTVHBPVKMTANI-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.01
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
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210479
N-(2-aminocyclopropyl)-2-(2-methylphenyl)acetamide
CID 43593844
1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584926
4-amino-N-(2-propylphenyl)cyclopent-2-ene-1-carboxamide
CID 79210939
2-(2-methylphenyl)acetic acid
CID 67440217
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone (CID 116584924) is 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)C1C=CC(N)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is NLTVHBPVKMTANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-4-2-3-5-11(10)9-14(16)12-6-7-13(15)8-12/h2-7,12-13H,8-9,15H2,1H3.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone?
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 2.01, 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-(2-methylphenyl)ethanone is sourced from PubChem (CID 116584924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).