3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C13H19NO — CID 114413623

IUPAC3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)C2CC3CC3C2)CC1
InChIInChI=1S/C13H19NO/c1-9-2-4-14(5-3-9)13(15)12-7-10-6-11(10)8-12/h2,10-12H,3-8H2,1H3
InChIKeyWIIWITWQAUSKLL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds1

About 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114413623) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114413623
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)C2CC3CC3C2)CC1
InChIInChI=1S/C13H19NO/c1-9-2-4-14(5-3-9)13(15)12-7-10-6-11(10)8-12/h2,10-12H,3-8H2,1H3
InChIKeyWIIWITWQAUSKLL-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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)cyclobutane-1-carboxylic acid
CID 120976930
(4-aminocyclopent-2-en-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409211
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114408103
(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
5-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427587
(2S)-2-chloro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494250
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propane-1,2-dione
CID 71114237
3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671271
2-(bicyclo[3.1.0]hexane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863196

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114413623) is 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)C2CC3CC3C2)CC1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is WIIWITWQAUSKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-2-4-14(5-3-9)13(15)12-7-10-6-11(10)8-12/h2,10-12H,3-8H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 205.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114413623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).