2-cyclopropylcyclopentane-1,3-dione

C8H10O2 — CID 123552566

IUPAC2-cyclopropylcyclopentane-1,3-dione
SMILESO=C1CCC(=O)C1C1CC1
InChIInChI=1S/C8H10O2/c9-6-3-4-7(10)8(6)5-1-2-5/h5,8H,1-4H2
InChIKeySGUQNUZZQOVOIA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.94
Rot. Bonds1

About 2-cyclopropylcyclopentane-1,3-dione

2-cyclopropylcyclopentane-1,3-dione (PubChem CID 123552566) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-cyclopropylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2-cyclopropylcyclopentane-1,3-dione
PubChem CID123552566
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-cyclopropylcyclopentane-1,3-dione
SMILESO=C1CCC(=O)C1C1CC1
InChIInChI=1S/C8H10O2/c9-6-3-4-7(10)8(6)5-1-2-5/h5,8H,1-4H2
InChIKeySGUQNUZZQOVOIA-UHFFFAOYSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-5-(hydroxymethylidene)cyclohexane-1,3-dione
CID 141001145
bicyclo[3.2.0]heptan-2-one
CID 543759
4-(4-methoxycyclohexyl)cyclohexan-1-one
CID 22492944
2-cyclopropylpiperidin-3-one
CID 115011356
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
bicyclo[3.2.0]heptan-3-one
CID 12550422
5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione
CID 2749605
(1S,2S,6S)-2-methylbicyclo[4.2.0]octan-3-one
CID 95564790
3-cyclopropylpiperidin-4-one
CID 130812685
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807
(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
CID 15262519

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylcyclopentane-1,3-dione?
The IUPAC name of 2-cyclopropylcyclopentane-1,3-dione (CID 123552566) is 2-cyclopropylcyclopentane-1,3-dione.
What is the SMILES notation for 2-cyclopropylcyclopentane-1,3-dione?
The canonical SMILES for 2-cyclopropylcyclopentane-1,3-dione is O=C1CCC(=O)C1C1CC1.
What is the InChIKey of 2-cyclopropylcyclopentane-1,3-dione?
The InChIKey is SGUQNUZZQOVOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-3-4-7(10)8(6)5-1-2-5/h5,8H,1-4H2.
What are the key properties of 2-cyclopropylcyclopentane-1,3-dione?
2-cyclopropylcyclopentane-1,3-dione has a molecular weight of 138.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylcyclopentane-1,3-dione is sourced from PubChem (CID 123552566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).