2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran

C11H11NO5 — CID 101445872

IUPAC2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
SMILESCOc1ccc([C@@H](C[N+](=O)[O-])c2ccco2)o1
InChIInChI=1S/C11H11NO5/c1-15-11-5-4-10(17-11)8(7-12(13)14)9-3-2-6-16-9/h2-6,8H,7H2,1H3/t8-/m0/s1
InChIKeyDBNWBIGWOOCLFG-QMMMGPOBSA-N
MW237.21 g/mol
LogP2.29
Rot. Bonds5

About 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran

2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran (PubChem CID 101445872) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran.

Molecular Properties

Compound Name2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
PubChem CID101445872
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
SMILESCOc1ccc([C@@H](C[N+](=O)[O-])c2ccco2)o1
InChIInChI=1S/C11H11NO5/c1-15-11-5-4-10(17-11)8(7-12(13)14)9-3-2-6-16-9/h2-6,8H,7H2,1H3/t8-/m0/s1
InChIKeyDBNWBIGWOOCLFG-QMMMGPOBSA-N
XLogP2.29
TPSA78.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
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-[(1R)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445871
2-methoxy-5-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]furan
CID 101445862
2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
CID 3137533
2-(1,3-dinitrobutan-2-yl)furan
CID 73035350
3-[(1R)-1-(furan-2-yl)-2-nitroethyl]-2-hydroxycyclopent-2-en-1-one
CID 102503397
ethyl 2-(furan-2-yl)-3-nitropropanoate
CID 101230332
bis[furan-2-yl(nitro)methoxy]-oxoazanium
CID 87204286
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
CID 134967815
2-(4-chlorophenyl)-3-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1H-indole
CID 1185471
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
(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 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran?
The IUPAC name of 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran (CID 101445872) is 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran.
What is the SMILES notation for 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran?
The canonical SMILES for 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran is COc1ccc([C@@H](C[N+](=O)[O-])c2ccco2)o1.
What is the InChIKey of 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran?
The InChIKey is DBNWBIGWOOCLFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-11-5-4-10(17-11)8(7-12(13)14)9-3-2-6-16-9/h2-6,8H,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran?
2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran has a molecular weight of 237.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran is sourced from PubChem (CID 101445872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).