2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone

C13H17NO2 — CID 102893836

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone
SMILESO=C(CC1NCC2CCCC21)c1ccoc1
InChIInChI=1S/C13H17NO2/c15-13(10-4-5-16-8-10)6-12-11-3-1-2-9(11)7-14-12/h4-5,8-9,11-12,14H,1-3,6-7H2
InChIKeyVHZIAQUWEVRKJE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.24
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone (PubChem CID 102893836) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone
PubChem CID102893836
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone
SMILESO=C(CC1NCC2CCCC21)c1ccoc1
InChIInChI=1S/C13H17NO2/c15-13(10-4-5-16-8-10)6-12-11-3-1-2-9(11)7-14-12/h4-5,8-9,11-12,14H,1-3,6-7H2
InChIKeyVHZIAQUWEVRKJE-UHFFFAOYSA-N
XLogP2.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone (CID 102893836) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone is O=C(CC1NCC2CCCC21)c1ccoc1.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone?
The InChIKey is VHZIAQUWEVRKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(10-4-5-16-8-10)6-12-11-3-1-2-9(11)7-14-12/h4-5,8-9,11-12,14H,1-3,6-7H2.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone is sourced from PubChem (CID 102893836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).