(5R)-3-methoxy-5-propylcyclopent-2-en-1-one

C9H14O2 — CID 135080642

IUPAC(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
SMILESCCC[C@@H]1CC(OC)=CC1=O
InChIInChI=1S/C9H14O2/c1-3-4-7-5-8(11-2)6-9(7)10/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyFMNPMISIQGOQMN-SSDOTTSWSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About (5R)-3-methoxy-5-propylcyclopent-2-en-1-one

(5R)-3-methoxy-5-propylcyclopent-2-en-1-one (PubChem CID 135080642) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5R)-3-methoxy-5-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
PubChem CID135080642
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
SMILESCCC[C@@H]1CC(OC)=CC1=O
InChIInChI=1S/C9H14O2/c1-3-4-7-5-8(11-2)6-9(7)10/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyFMNPMISIQGOQMN-SSDOTTSWSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methoxy-5-propylcyclopent-2-en-1-one?
The IUPAC name of (5R)-3-methoxy-5-propylcyclopent-2-en-1-one (CID 135080642) is (5R)-3-methoxy-5-propylcyclopent-2-en-1-one.
What is the SMILES notation for (5R)-3-methoxy-5-propylcyclopent-2-en-1-one?
The canonical SMILES for (5R)-3-methoxy-5-propylcyclopent-2-en-1-one is CCC[C@@H]1CC(OC)=CC1=O.
What is the InChIKey of (5R)-3-methoxy-5-propylcyclopent-2-en-1-one?
The InChIKey is FMNPMISIQGOQMN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-7-5-8(11-2)6-9(7)10/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-3-methoxy-5-propylcyclopent-2-en-1-one?
(5R)-3-methoxy-5-propylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methoxy-5-propylcyclopent-2-en-1-one is sourced from PubChem (CID 135080642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).