N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide

C8H10N2O4 — CID 134967815

IUPACN-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
SMILESCC(=O)N[C@H](C[N+](=O)[O-])c1ccco1
InChIInChI=1S/C8H10N2O4/c1-6(11)9-7(5-10(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,9,11)/t7-/m1/s1
InChIKeyNUUVWEWJHDCLRY-SSDOTTSWSA-N
MW198.18 g/mol
LogP0.73
Rot. Bonds4

About N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide

N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide (PubChem CID 134967815) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
PubChem CID134967815
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC NameN-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
SMILESCC(=O)N[C@H](C[N+](=O)[O-])c1ccco1
InChIInChI=1S/C8H10N2O4/c1-6(11)9-7(5-10(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,9,11)/t7-/m1/s1
InChIKeyNUUVWEWJHDCLRY-SSDOTTSWSA-N
XLogP0.73
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(1S)-1-(3-methylphenyl)-2-nitroethyl]acetamide
CID 134954394
N-[(1S)-1-(2-methylphenyl)-2-nitroethyl]acetamide
CID 134961228
2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-(1,3-dinitrobutan-2-yl)furan
CID 73035350
ethyl 2-(furan-2-yl)-3-nitropropanoate
CID 101230332
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
ethyl 2-acetamido-2-(furan-2-yl)acetate
CID 14212852
(2S)-2-fluoro-2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1-phenylbutane-1,3-dione
CID 142751403
N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide (CID 134967815) is N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide is CC(=O)N[C@H](C[N+](=O)[O-])c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide?
The InChIKey is NUUVWEWJHDCLRY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-6(11)9-7(5-10(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,9,11)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide?
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide has a molecular weight of 198.18 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide is sourced from PubChem (CID 134967815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).