2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C14H19NO — CID 115799056

IUPAC2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)Cc2cccnc2)C1(C)C
InChIInChI=1S/C14H19NO/c1-13(2)12(14(13,3)4)11(16)8-10-6-5-7-15-9-10/h5-7,9,12H,8H2,1-4H3
InChIKeyBUNAFNHTJNMCBX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.88
Rot. Bonds3

About 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 115799056) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID115799056
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)Cc2cccnc2)C1(C)C
InChIInChI=1S/C14H19NO/c1-13(2)12(14(13,3)4)11(16)8-10-6-5-7-15-9-10/h5-7,9,12H,8H2,1-4H3
InChIKeyBUNAFNHTJNMCBX-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66868100
CID 66868100
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
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4-methyl-1-pyridin-3-ylpentan-2-one
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2-pyridin-3-ylacetyl chloride
CID 14697475
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanone
CID 103344897
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
(E)-1-pyridin-3-ylpent-3-en-2-one
CID 103453253
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 115799056) is 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is CC1(C)C(C(=O)Cc2cccnc2)C1(C)C.
What is the InChIKey of 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is BUNAFNHTJNMCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)12(14(13,3)4)11(16)8-10-6-5-7-15-9-10/h5-7,9,12H,8H2,1-4H3.
What are the key properties of 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 115799056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).