2-prop-2-enylcyclopentan-1-one

C8H12O — CID 10920511

IUPAC2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1CCCC1=O
InChIInChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h2,7H,1,3-6H2
InChIKeyRJBLLIUKFYNXNM-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds2

About 2-prop-2-enylcyclopentan-1-one

2-prop-2-enylcyclopentan-1-one (PubChem CID 10920511) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name2-prop-2-enylcyclopentan-1-one
PubChem CID10920511
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1CCCC1=O
InChIInChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h2,7H,1,3-6H2
InChIKeyRJBLLIUKFYNXNM-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6437002
CID 6437002
CID 5367848
CID 5367848
CID 78944
CID 78944
CID 5367850
CID 5367850
CID 6437472
CID 6437472
CID 103447
CID 103447
CID 98095
CID 98095
CID 557300
CID 557300
CID 12430218
CID 12430218
CID 109549
CID 109549
CID 103502
CID 103502
CID 336742
CID 336742

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclopentan-1-one?
The IUPAC name of 2-prop-2-enylcyclopentan-1-one (CID 10920511) is 2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for 2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for 2-prop-2-enylcyclopentan-1-one is C=CCC1CCCC1=O.
What is the InChIKey of 2-prop-2-enylcyclopentan-1-one?
The InChIKey is RJBLLIUKFYNXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h2,7H,1,3-6H2.
What are the key properties of 2-prop-2-enylcyclopentan-1-one?
2-prop-2-enylcyclopentan-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 10920511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).