2-methyl-2-prop-2-ynylcyclopentan-1-one

C9H12O — CID 72784709

IUPAC2-methyl-2-prop-2-ynylcyclopentan-1-one
SMILESC#CCC1(C)CCCC1=O
InChIInChI=1S/C9H12O/c1-3-6-9(2)7-4-5-8(9)10/h1H,4-7H2,2H3
InChIKeyJHZJUKRIZZVTAL-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.77
Rot. Bonds1

About 2-methyl-2-prop-2-ynylcyclopentan-1-one

2-methyl-2-prop-2-ynylcyclopentan-1-one (PubChem CID 72784709) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-methyl-2-prop-2-ynylcyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-2-prop-2-ynylcyclopentan-1-one
PubChem CID72784709
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-methyl-2-prop-2-ynylcyclopentan-1-one
SMILESC#CCC1(C)CCCC1=O
InChIInChI=1S/C9H12O/c1-3-6-9(2)7-4-5-8(9)10/h1H,4-7H2,2H3
InChIKeyJHZJUKRIZZVTAL-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-ynylcyclopentan-1-one?
The IUPAC name of 2-methyl-2-prop-2-ynylcyclopentan-1-one (CID 72784709) is 2-methyl-2-prop-2-ynylcyclopentan-1-one.
What is the SMILES notation for 2-methyl-2-prop-2-ynylcyclopentan-1-one?
The canonical SMILES for 2-methyl-2-prop-2-ynylcyclopentan-1-one is C#CCC1(C)CCCC1=O.
What is the InChIKey of 2-methyl-2-prop-2-ynylcyclopentan-1-one?
The InChIKey is JHZJUKRIZZVTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-6-9(2)7-4-5-8(9)10/h1H,4-7H2,2H3.
What are the key properties of 2-methyl-2-prop-2-ynylcyclopentan-1-one?
2-methyl-2-prop-2-ynylcyclopentan-1-one has a molecular weight of 136.19 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-ynylcyclopentan-1-one is sourced from PubChem (CID 72784709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).