3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C10H14O3 — CID 135004916

IUPAC3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(=O)CC1C(=O)OC2CCCC21
InChIInChI=1S/C10H14O3/c1-6(11)5-8-7-3-2-4-9(7)13-10(8)12/h7-9H,2-5H2,1H3
InChIKeyKRTSDFLWYVNCDC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds2

About 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 135004916) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID135004916
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(=O)CC1C(=O)OC2CCCC21
InChIInChI=1S/C10H14O3/c1-6(11)5-8-7-3-2-4-9(7)13-10(8)12/h7-9H,2-5H2,1H3
InChIKeyKRTSDFLWYVNCDC-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3aR,6aS)-3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 44523416
5-Oxatricyclo[4.2.1.03,9]nonan-4-one
CID 12820553
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779
(3S,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265863
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265865
3-(3-Methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 45480934
(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59065315
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59956908
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetaldehyde
CID 11400998
1-[(2R,3R,3aS,6aS)-2-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 12061548
(3aR,6aS)-4,4-dimethyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 15259808

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 135004916) is 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(=O)CC1C(=O)OC2CCCC21.
What is the InChIKey of 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is KRTSDFLWYVNCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6(11)5-8-7-3-2-4-9(7)13-10(8)12/h7-9H,2-5H2,1H3.
What are the key properties of 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 135004916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).