1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone

C12H15NO — CID 106796916

IUPAC1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CCc2ccccn2)CC1
InChIInChI=1S/C12H15NO/c1-10(14)12(7-8-12)6-5-11-4-2-3-9-13-11/h2-4,9H,5-8H2,1H3
InChIKeyVMUYVKGYKIJNRZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.38
Rot. Bonds4

About 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone

1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone (PubChem CID 106796916) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
PubChem CID106796916
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CCc2ccccn2)CC1
InChIInChI=1S/C12H15NO/c1-10(14)12(7-8-12)6-5-11-4-2-3-9-13-11/h2-4,9H,5-8H2,1H3
InChIKeyVMUYVKGYKIJNRZ-UHFFFAOYSA-N
XLogP2.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79428498
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
N,N-dimethyl-4-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 71298562
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetic acid;2-ethylpyridine
CID 70072313
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone (CID 106796916) is 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone is CC(=O)C1(CCc2ccccn2)CC1.
What is the InChIKey of 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone?
The InChIKey is VMUYVKGYKIJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(14)12(7-8-12)6-5-11-4-2-3-9-13-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone?
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone is sourced from PubChem (CID 106796916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).