1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone

C12H14N2O — CID 130900967

IUPAC1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone
SMILESNc1cccc(C(=O)CC2=CCCC2)n1
InChIInChI=1S/C12H14N2O/c13-12-7-3-6-10(14-12)11(15)8-9-4-1-2-5-9/h3-4,6-7H,1-2,5,8H2,(H2,13,14)
InChIKeyIECGQEVDKFSQHO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.35
Rot. Bonds3

About 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone

1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone (PubChem CID 130900967) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone
PubChem CID130900967
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone
SMILESNc1cccc(C(=O)CC2=CCCC2)n1
InChIInChI=1S/C12H14N2O/c13-12-7-3-6-10(14-12)11(15)8-9-4-1-2-5-9/h3-4,6-7H,1-2,5,8H2,(H2,13,14)
InChIKeyIECGQEVDKFSQHO-UHFFFAOYSA-N
XLogP2.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.35
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

2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
CID 130917901
1-(6-amino-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 130646624
1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone
CID 130917911
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 122057801
2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 130987790
1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one
CID 130840952
6-aminopyridine-2-carboxylic acid;nitrous acid
CID 175025795
cyclopenten-1-ylmethyl 2-hydroxybenzoate
CID 154511016

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone?
The IUPAC name of 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone (CID 130900967) is 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone is Nc1cccc(C(=O)CC2=CCCC2)n1.
What is the InChIKey of 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone?
The InChIKey is IECGQEVDKFSQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12-7-3-6-10(14-12)11(15)8-9-4-1-2-5-9/h3-4,6-7H,1-2,5,8H2,(H2,13,14).
What are the key properties of 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone?
1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone has a molecular weight of 202.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-pyridinyl)-2-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 130900967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).