1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone

C13H15NO — CID 115799097

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)C1CC2CC2C1
InChIInChI=1S/C13H15NO/c15-13(4-9-2-1-3-14-8-9)12-6-10-5-11(10)7-12/h1-3,8,10-12H,4-7H2
InChIKeyHPVCJCBCOUPZBI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone

1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone (PubChem CID 115799097) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
PubChem CID115799097
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)C1CC2CC2C1
InChIInChI=1S/C13H15NO/c15-13(4-9-2-1-3-14-8-9)12-6-10-5-11(10)7-12/h1-3,8,10-12H,4-7H2
InChIKeyHPVCJCBCOUPZBI-UHFFFAOYSA-N
XLogP2.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 115799056
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanone
CID 103344897
ethene;1-pyridin-3-ylbut-3-yn-2-one
CID 143759545

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone (CID 115799097) is 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone?
The InChIKey is HPVCJCBCOUPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13(4-9-2-1-3-14-8-9)12-6-10-5-11(10)7-12/h1-3,8,10-12H,4-7H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone?
1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone has a molecular weight of 201.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).