3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one

C11H11NO5 — CID 102503397

IUPAC3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC([C@H](C[N+](=O)[O-])c2ccco2)=C1O
InChIInChI=1S/C11H11NO5/c13-9-4-3-7(11(9)14)8(6-12(15)16)10-2-1-5-17-10/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1
InChIKeyQVZZKZGAUJUPHW-QMMMGPOBSA-N
MW237.21 g/mol
LogP1.81
Rot. Bonds4

About 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one

3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one (PubChem CID 102503397) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one
PubChem CID102503397
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one
SMILESO=C1CCC([C@H](C[N+](=O)[O-])c2ccco2)=C1O
InChIInChI=1S/C11H11NO5/c13-9-4-3-7(11(9)14)8(6-12(15)16)10-2-1-5-17-10/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1
InChIKeyQVZZKZGAUJUPHW-QMMMGPOBSA-N
XLogP1.81
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
2-[(1R)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445871
2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445872
2-(1,3-dinitrobutan-2-yl)furan
CID 73035350
3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
CID 3137533
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
CID 134967815
ethyl 2-(furan-2-yl)-3-nitropropanoate
CID 101230332
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
methyl 1-[(1S)-1-(furan-2-yl)-2-nitroethyl]-2-oxocyclopentane-1-carboxylate
CID 101485455
2-(4-chlorophenyl)-3-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1H-indole
CID 1185471
3-hydroxy-4-[(1R)-2-nitro-1-phenylethyl]-2H-furan-5-one
CID 131872991
(2S)-2-fluoro-2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1-phenylbutane-1,3-dione
CID 142751403

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one?
The IUPAC name of 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one (CID 102503397) is 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one is O=C1CCC([C@H](C[N+](=O)[O-])c2ccco2)=C1O.
What is the InChIKey of 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one?
The InChIKey is QVZZKZGAUJUPHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11NO5/c13-9-4-3-7(11(9)14)8(6-12(15)16)10-2-1-5-17-10/h1-2,5,8,14H,3-4,6H2/t8-/m0/s1.
What are the key properties of 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one?
3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one has a molecular weight of 237.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 102503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).