3-methyl-3-pyrazin-2-ylcyclopentan-1-one

C10H12N2O — CID 116538563

IUPAC3-methyl-3-pyrazin-2-ylcyclopentan-1-one
SMILESCC1(c2cnccn2)CCC(=O)C1
InChIInChI=1S/C10H12N2O/c1-10(3-2-8(13)6-10)9-7-11-4-5-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyZBDZTDPZNCJOSM-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.49
Rot. Bonds1

About 3-methyl-3-pyrazin-2-ylcyclopentan-1-one

3-methyl-3-pyrazin-2-ylcyclopentan-1-one (PubChem CID 116538563) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-3-pyrazin-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-pyrazin-2-ylcyclopentan-1-one
PubChem CID116538563
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-methyl-3-pyrazin-2-ylcyclopentan-1-one
SMILESCC1(c2cnccn2)CCC(=O)C1
InChIInChI=1S/C10H12N2O/c1-10(3-2-8(13)6-10)9-7-11-4-5-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyZBDZTDPZNCJOSM-UHFFFAOYSA-N
XLogP1.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538479
3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
CID 116538385
3-methyl-3-(5-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538519
3-(2-methoxypyrimidin-5-yl)-3-methylcyclopentan-1-one
CID 130533890
3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
CID 116538630
4-methyl-4-pyridin-2-ylcyclohexan-1-one
CID 134438979
(5R)-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 88974012
3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
CID 116538540
3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one
CID 116538362
potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride
CID 173406690
2-(1,2-dimethylcyclohexyl)pyrazine
CID 174878873
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538437

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrazin-2-ylcyclopentan-1-one?
The IUPAC name of 3-methyl-3-pyrazin-2-ylcyclopentan-1-one (CID 116538563) is 3-methyl-3-pyrazin-2-ylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-pyrazin-2-ylcyclopentan-1-one?
The canonical SMILES for 3-methyl-3-pyrazin-2-ylcyclopentan-1-one is CC1(c2cnccn2)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-pyrazin-2-ylcyclopentan-1-one?
The InChIKey is ZBDZTDPZNCJOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(3-2-8(13)6-10)9-7-11-4-5-12-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-methyl-3-pyrazin-2-ylcyclopentan-1-one?
3-methyl-3-pyrazin-2-ylcyclopentan-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrazin-2-ylcyclopentan-1-one is sourced from PubChem (CID 116538563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).