3-(4-methylbenzoyl)cyclopentan-1-one

C13H14O2 — CID 79639548

IUPAC3-(4-methylbenzoyl)cyclopentan-1-one
SMILESCc1ccc(C(=O)C2CCC(=O)C2)cc1
InChIInChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)13(15)11-6-7-12(14)8-11/h2-5,11H,6-8H2,1H3
InChIKeyNMLSOBQRNWSQFS-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.55
Rot. Bonds2

About 3-(4-methylbenzoyl)cyclopentan-1-one

3-(4-methylbenzoyl)cyclopentan-1-one (PubChem CID 79639548) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(4-methylbenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-methylbenzoyl)cyclopentan-1-one
PubChem CID79639548
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-(4-methylbenzoyl)cyclopentan-1-one
SMILESCc1ccc(C(=O)C2CCC(=O)C2)cc1
InChIInChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)13(15)11-6-7-12(14)8-11/h2-5,11H,6-8H2,1H3
InChIKeyNMLSOBQRNWSQFS-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylbenzoyl)cyclopentan-1-one
CID 79639553
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807
3-(3,5-dimethoxybenzoyl)cyclopentan-1-one
CID 79638515
3-(4-fluorobenzoyl)cyclohexan-1-one
CID 79625702
5-(4-methylbenzoyl)pyrrolidin-2-one
CID 86062507
4-(4-ethylsulfanylbenzoyl)cyclohexan-1-one
CID 116920293
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
3-(4-methylbenzoyl)cyclohexane-1,2-dione
CID 104539655
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylbenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(4-methylbenzoyl)cyclopentan-1-one (CID 79639548) is 3-(4-methylbenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-methylbenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-methylbenzoyl)cyclopentan-1-one is Cc1ccc(C(=O)C2CCC(=O)C2)cc1.
What is the InChIKey of 3-(4-methylbenzoyl)cyclopentan-1-one?
The InChIKey is NMLSOBQRNWSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)13(15)11-6-7-12(14)8-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 3-(4-methylbenzoyl)cyclopentan-1-one?
3-(4-methylbenzoyl)cyclopentan-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylbenzoyl)cyclopentan-1-one is sourced from PubChem (CID 79639548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).