(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H18N2O — CID 114409211

IUPAC(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C12H18N2O/c1-9-4-6-14(7-5-9)12(15)10-2-3-11(13)8-10/h2-4,10-11H,5-8,13H2,1H3
InChIKeyVUNMUTAXYBSGOI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.07
Rot. Bonds1

About (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114409211) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114409211
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C12H18N2O/c1-9-4-6-14(7-5-9)12(15)10-2-3-11(13)8-10/h2-4,10-11H,5-8,13H2,1H3
InChIKeyVUNMUTAXYBSGOI-UHFFFAOYSA-N
XLogP1.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.07
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

3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114413623
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976930
(4-aminocyclopent-2-en-1-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81104024
2-(4-aminocyclopent-2-ene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559016
ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 144802269
ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone
CID 144801844
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114408103
5-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427587
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532882
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 114409389
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145380354
(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 79207709

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114409211) is (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is VUNMUTAXYBSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-6-14(7-5-9)12(15)10-2-3-11(13)8-10/h2-4,10-11H,5-8,13H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 1.07, 1 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)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).