3-methylcyclopentan-1-one

C6H10O — CID 15650

IUPAC3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1
InChIInChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
InChIKeyAOKRXIIIYJGNNU-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.38
Rot. Bonds

About 3-methylcyclopentan-1-one

3-methylcyclopentan-1-one (PubChem CID 15650) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-methylcyclopentan-1-one
PubChem CID15650
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1
InChIInChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
InChIKeyAOKRXIIIYJGNNU-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentan-1-one?
The IUPAC name of 3-methylcyclopentan-1-one (CID 15650) is 3-methylcyclopentan-1-one.
What is the SMILES notation for 3-methylcyclopentan-1-one?
The canonical SMILES for 3-methylcyclopentan-1-one is CC1CCC(=O)C1.
What is the InChIKey of 3-methylcyclopentan-1-one?
The InChIKey is AOKRXIIIYJGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3.
What are the key properties of 3-methylcyclopentan-1-one?
3-methylcyclopentan-1-one has a molecular weight of 98.14 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentan-1-one is sourced from PubChem (CID 15650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).