3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one

C12H15NO — CID 116538479

IUPAC3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
SMILESCc1ccncc1C1(C)CCC(=O)C1
InChIInChI=1S/C12H15NO/c1-9-4-6-13-8-11(9)12(2)5-3-10(14)7-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDHADFTWJILYJBH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.40
Rot. Bonds1

About 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one

3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one (PubChem CID 116538479) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
PubChem CID116538479
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
SMILESCc1ccncc1C1(C)CCC(=O)C1
InChIInChI=1S/C12H15NO/c1-9-4-6-13-8-11(9)12(2)5-3-10(14)7-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDHADFTWJILYJBH-UHFFFAOYSA-N
XLogP2.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-pyrazin-2-ylcyclopentan-1-one
CID 116538563
3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
CID 116538385
3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
CID 116540327
3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 102755976
3-methyl-3-(5-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538519
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
3-methyl-3-(5-methylthiophen-2-yl)cyclopentan-1-one
CID 116538362
3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
CID 116538630
3-(4-methyl-3-pyridinyl)-1,1-dioxothiolan-3-ol
CID 66271369
3-(2-methoxypyrimidin-5-yl)-3-methylcyclopentan-1-one
CID 130533890
5,5-dimethyl-6,7-dihydroisoquinolin-8-one
CID 12648560

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one?
The IUPAC name of 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one (CID 116538479) is 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one is Cc1ccncc1C1(C)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one?
The InChIKey is DHADFTWJILYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-6-13-8-11(9)12(2)5-3-10(14)7-12/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one?
3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one is sourced from PubChem (CID 116538479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).