2-cyclopropyl-3-methoxycyclopent-2-en-1-one

C9H12O2 — CID 67166597

IUPAC2-cyclopropyl-3-methoxycyclopent-2-en-1-one
SMILESCOC1=C(C2CC2)C(=O)CC1
InChIInChI=1S/C9H12O2/c1-11-8-5-4-7(10)9(8)6-2-3-6/h6H,2-5H2,1H3
InChIKeyPMCPAIAZZPPUHP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds2

About 2-cyclopropyl-3-methoxycyclopent-2-en-1-one

2-cyclopropyl-3-methoxycyclopent-2-en-1-one (PubChem CID 67166597) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-cyclopropyl-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-cyclopropyl-3-methoxycyclopent-2-en-1-one
PubChem CID67166597
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-cyclopropyl-3-methoxycyclopent-2-en-1-one
SMILESCOC1=C(C2CC2)C(=O)CC1
InChIInChI=1S/C9H12O2/c1-11-8-5-4-7(10)9(8)6-2-3-6/h6H,2-5H2,1H3
InChIKeyPMCPAIAZZPPUHP-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 2-cyclopropyl-3-methoxycyclopent-2-en-1-one (CID 67166597) is 2-cyclopropyl-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 2-cyclopropyl-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 2-cyclopropyl-3-methoxycyclopent-2-en-1-one is COC1=C(C2CC2)C(=O)CC1.
What is the InChIKey of 2-cyclopropyl-3-methoxycyclopent-2-en-1-one?
The InChIKey is PMCPAIAZZPPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-8-5-4-7(10)9(8)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-3-methoxycyclopent-2-en-1-one?
2-cyclopropyl-3-methoxycyclopent-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 67166597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).